GPU Optimizations for a Production Molecular Docking Code.

PubMed

Landaverde, Raphael; Herbordt, Martin C

2014-09-01

Modeling molecular docking is critical to both understanding life processes and designing new drugs. In previous work we created the first published GPU-accelerated docking code (PIPER) which achieved a roughly 5× speed-up over a contemporaneous 4 core CPU. Advances in GPU architecture and in the CPU code, however, have since reduced this relalative performance by a factor of 10. In this paper we describe the upgrade of GPU PIPER. This required an entire rewrite, including algorithm changes and moving most remaining non-accelerated CPU code onto the GPU. The result is a 7× improvement in GPU performance and a 3.3× speedup over the CPU-only code. We find that this difference in time is almost entirely due to the difference in run times of the 3D FFT library functions on CPU (MKL) and GPU (cuFFT), respectively. The GPU code has been integrated into the ClusPro docking server which has over 4000 active users.

Multidisciplinary Simulation Acceleration using Multiple Shared-Memory Graphical Processing Units

NASA Astrophysics Data System (ADS)

Kemal, Jonathan Yashar

For purposes of optimizing and analyzing turbomachinery and other designs, the unsteady Favre-averaged flow-field differential equations for an ideal compressible gas can be solved in conjunction with the heat conduction equation. We solve all equations using the finite-volume multiple-grid numerical technique, with the dual time-step scheme used for unsteady simulations. Our numerical solver code targets CUDA-capable Graphical Processing Units (GPUs) produced by NVIDIA. Making use of MPI, our solver can run across networked compute notes, where each MPI process can use either a GPU or a Central Processing Unit (CPU) core for primary solver calculations. We use NVIDIA Tesla C2050/C2070 GPUs based on the Fermi architecture, and compare our resulting performance against Intel Zeon X5690 CPUs. Solver routines converted to CUDA typically run about 10 times faster on a GPU for sufficiently dense computational grids. We used a conjugate cylinder computational grid and ran a turbulent steady flow simulation using 4 increasingly dense computational grids. Our densest computational grid is divided into 13 blocks each containing 1033x1033 grid points, for a total of 13.87 million grid points or 1.07 million grid points per domain block. To obtain overall speedups, we compare the execution time of the solver's iteration loop, including all resource intensive GPU-related memory copies. Comparing the performance of 8 GPUs to that of 8 CPUs, we obtain an overall speedup of about 6.0 when using our densest computational grid. This amounts to an 8-GPU simulation running about 39.5 times faster than running than a single-CPU simulation.

GPU Particle Tracking and MHD Simulations with Greatly Enhanced Computational Speed

NASA Astrophysics Data System (ADS)

Ziemba, T.; O'Donnell, D.; Carscadden, J.; Cash, M.; Winglee, R.; Harnett, E.

2008-12-01

GPUs are intrinsically highly parallelized systems that provide more than an order of magnitude computing speed over a CPU based systems, for less cost than a high end-workstation. Recent advancements in GPU technologies allow for full IEEE float specifications with performance up to several hundred GFLOPs per GPU, and new software architectures have recently become available to ease the transition from graphics based to scientific applications. This allows for a cheap alternative to standard supercomputing methods and should increase the time to discovery. 3-D particle tracking and MHD codes have been developed using NVIDIA's CUDA and have demonstrated speed up of nearly a factor of 20 over equivalent CPU versions of the codes. Such a speed up enables new applications to develop, including real time running of radiation belt simulations and real time running of global magnetospheric simulations, both of which could provide important space weather prediction tools.

Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST

NASA Astrophysics Data System (ADS)

Zhu, You-Liang; Pan, Deng; Li, Zhan-Wei; Liu, Hong; Qian, Hu-Jun; Zhao, Yang; Lu, Zhong-Yuan; Sun, Zhao-Yan

2018-04-01

We describe the algorithm of employing multi-GPU power on the basis of Message Passing Interface (MPI) domain decomposition in a molecular dynamics code, GALAMOST, which is designed for the coarse-grained simulation of soft matters. The code of multi-GPU version is developed based on our previous single-GPU version. In multi-GPU runs, one GPU takes charge of one domain and runs single-GPU code path. The communication between neighbouring domains takes a similar algorithm of CPU-based code of LAMMPS, but is optimised specifically for GPUs. We employ a memory-saving design which can enlarge maximum system size at the same device condition. An optimisation algorithm is employed to prolong the update period of neighbour list. We demonstrate good performance of multi-GPU runs on the simulation of Lennard-Jones liquid, dissipative particle dynamics liquid, polymer and nanoparticle composite, and two-patch particles on workstation. A good scaling of many nodes on cluster for two-patch particles is presented.

Gfargo: Fargo for Gpu

NASA Astrophysics Data System (ADS)

Masset, Frédéric

2015-09-01

GFARGO is a GPU version of FARGO. It is written in C and C for CUDA and runs only on NVIDIA’s graphics cards. Though it corresponds to the standard, isothermal version of FARGO, not all functionnalities of the CPU version have been translated to CUDA. The code is available in single and double precision versions, the latter compatible with FERMI architectures. GFARGO can run on a graphics card connected to the display, allowing the user to see in real time how the fields evolve.

On the effective implementation of a boundary element code on graphics processing units unsing an out-of-core LU algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Azevedo, Ed F; Nintcheu Fata, Sylvain

2012-01-01

A collocation boundary element code for solving the three-dimensional Laplace equation, publicly available from \\url{http://www.intetec.org}, has been adapted to run on an Nvidia Tesla general purpose graphics processing unit (GPU). Global matrix assembly and LU factorization of the resulting dense matrix were performed on the GPU. Out-of-core techniques were used to solve problems larger than available GPU memory. The code achieved over eight times speedup in matrix assembly and about 56~Gflops/sec in the LU factorization using only 512~Mbytes of GPU memory. Details of the GPU implementation and comparisons with the standard sequential algorithm are included to illustrate the performance ofmore » the GPU code.« less

MIGS-GPU: Microarray Image Gridding and Segmentation on the GPU.

PubMed

Katsigiannis, Stamos; Zacharia, Eleni; Maroulis, Dimitris

2017-05-01

Complementary DNA (cDNA) microarray is a powerful tool for simultaneously studying the expression level of thousands of genes. Nevertheless, the analysis of microarray images remains an arduous and challenging task due to the poor quality of the images that often suffer from noise, artifacts, and uneven background. In this study, the MIGS-GPU [Microarray Image Gridding and Segmentation on Graphics Processing Unit (GPU)] software for gridding and segmenting microarray images is presented. MIGS-GPU's computations are performed on the GPU by means of the compute unified device architecture (CUDA) in order to achieve fast performance and increase the utilization of available system resources. Evaluation on both real and synthetic cDNA microarray images showed that MIGS-GPU provides better performance than state-of-the-art alternatives, while the proposed GPU implementation achieves significantly lower computational times compared to the respective CPU approaches. Consequently, MIGS-GPU can be an advantageous and useful tool for biomedical laboratories, offering a user-friendly interface that requires minimum input in order to run.

Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU-GPU Computing Platform.

PubMed

Wu, Xin; Koslowski, Axel; Thiel, Walter

2012-07-10

In this work, we demonstrate that semiempirical quantum chemical calculations can be accelerated significantly by leveraging the graphics processing unit (GPU) as a coprocessor on a hybrid multicore CPU-GPU computing platform. Semiempirical calculations using the MNDO, AM1, PM3, OM1, OM2, and OM3 model Hamiltonians were systematically profiled for three types of test systems (fullerenes, water clusters, and solvated crambin) to identify the most time-consuming sections of the code. The corresponding routines were ported to the GPU and optimized employing both existing library functions and a GPU kernel that carries out a sequence of noniterative Jacobi transformations during pseudodiagonalization. The overall computation times for single-point energy calculations and geometry optimizations of large molecules were reduced by one order of magnitude for all methods, as compared to runs on a single CPU core.

AMITIS: A 3D GPU-Based Hybrid-PIC Model for Space and Plasma Physics

NASA Astrophysics Data System (ADS)

Fatemi, Shahab; Poppe, Andrew R.; Delory, Gregory T.; Farrell, William M.

2017-05-01

We have developed, for the first time, an advanced modeling infrastructure in space simulations (AMITIS) with an embedded three-dimensional self-consistent grid-based hybrid model of plasma (kinetic ions and fluid electrons) that runs entirely on graphics processing units (GPUs). The model uses NVIDIA GPUs and their associated parallel computing platform, CUDA, developed for general purpose processing on GPUs. The model uses a single CPU-GPU pair, where the CPU transfers data between the system and GPU memory, executes CUDA kernels, and writes simulation outputs on the disk. All computations, including moving particles, calculating macroscopic properties of particles on a grid, and solving hybrid model equations are processed on a single GPU. We explain various computing kernels within AMITIS and compare their performance with an already existing well-tested hybrid model of plasma that runs in parallel using multi-CPU platforms. We show that AMITIS runs ∼10 times faster than the parallel CPU-based hybrid model. We also introduce an implicit solver for computation of Faraday’s Equation, resulting in an explicit-implicit scheme for the hybrid model equation. We show that the proposed scheme is stable and accurate. We examine the AMITIS energy conservation and show that the energy is conserved with an error < 0.2% after 500,000 timesteps, even when a very low number of particles per cell is used.

Performance and accuracy of criticality calculations performed using WARP – A framework for continuous energy Monte Carlo neutron transport in general 3D geometries on GPUs

DOE PAGES

Bergmann, Ryan M.; Rowland, Kelly L.; Radnović, Nikola; ...

2017-05-01

In this companion paper to "Algorithmic Choices in WARP - A Framework for Continuous Energy Monte Carlo Neutron Transport in General 3D Geometries on GPUs" (doi:10.1016/j.anucene.2014.10.039), the WARP Monte Carlo neutron transport framework for graphics processing units (GPUs) is benchmarked against production-level central processing unit (CPU) Monte Carlo neutron transport codes for both performance and accuracy. We compare neutron flux spectra, multiplication factors, runtimes, speedup factors, and costs of various GPU and CPU platforms running either WARP, Serpent 2.1.24, or MCNP 6.1. WARP compares well with the results of the production-level codes, and it is shown that on the newestmore » hardware considered, GPU platforms running WARP are between 0.8 to 7.6 times as fast as CPU platforms running production codes. Also, the GPU platforms running WARP were between 15% and 50% as expensive to purchase and between 80% to 90% as expensive to operate as equivalent CPU platforms performing at an equal simulation rate.« less

Performance and accuracy of criticality calculations performed using WARP – A framework for continuous energy Monte Carlo neutron transport in general 3D geometries on GPUs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergmann, Ryan M.; Rowland, Kelly L.; Radnović, Nikola

In this companion paper to "Algorithmic Choices in WARP - A Framework for Continuous Energy Monte Carlo Neutron Transport in General 3D Geometries on GPUs" (doi:10.1016/j.anucene.2014.10.039), the WARP Monte Carlo neutron transport framework for graphics processing units (GPUs) is benchmarked against production-level central processing unit (CPU) Monte Carlo neutron transport codes for both performance and accuracy. We compare neutron flux spectra, multiplication factors, runtimes, speedup factors, and costs of various GPU and CPU platforms running either WARP, Serpent 2.1.24, or MCNP 6.1. WARP compares well with the results of the production-level codes, and it is shown that on the newestmore » hardware considered, GPU platforms running WARP are between 0.8 to 7.6 times as fast as CPU platforms running production codes. Also, the GPU platforms running WARP were between 15% and 50% as expensive to purchase and between 80% to 90% as expensive to operate as equivalent CPU platforms performing at an equal simulation rate.« less

Sailfish: A flexible multi-GPU implementation of the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Januszewski, M.; Kostur, M.

2014-09-01

We present Sailfish, an open source fluid simulation package implementing the lattice Boltzmann method (LBM) on modern Graphics Processing Units (GPUs) using CUDA/OpenCL. We take a novel approach to GPU code implementation and use run-time code generation techniques and a high level programming language (Python) to achieve state of the art performance, while allowing easy experimentation with different LBM models and tuning for various types of hardware. We discuss the general design principles of the code, scaling to multiple GPUs in a distributed environment, as well as the GPU implementation and optimization of many different LBM models, both single component (BGK, MRT, ELBM) and multicomponent (Shan-Chen, free energy). The paper also presents results of performance benchmarks spanning the last three NVIDIA GPU generations (Tesla, Fermi, Kepler), which we hope will be useful for researchers working with this type of hardware and similar codes. Catalogue identifier: AETA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU Lesser General Public License, version 3 No. of lines in distributed program, including test data, etc.: 225864 No. of bytes in distributed program, including test data, etc.: 46861049 Distribution format: tar.gz Programming language: Python, CUDA C, OpenCL. Computer: Any with an OpenCL or CUDA-compliant GPU. Operating system: No limits (tested on Linux and Mac OS X). RAM: Hundreds of megabytes to tens of gigabytes for typical cases. Classification: 12, 6.5. External routines: PyCUDA/PyOpenCL, Numpy, Mako, ZeroMQ (for multi-GPU simulations), scipy, sympy Nature of problem: GPU-accelerated simulation of single- and multi-component fluid flows. Solution method: A wide range of relaxation models (LBGK, MRT, regularized LB, ELBM, Shan-Chen, free energy, free surface) and boundary conditions within the lattice Boltzmann method framework. Simulations can be run in single or double precision using one or more GPUs. Restrictions: The lattice Boltzmann method works for low Mach number flows only. Unusual features: The actual numerical calculations run exclusively on GPUs. The numerical code is built dynamically at run-time in CUDA C or OpenCL, using templates and symbolic formulas. The high-level control of the simulation is maintained by a Python process. Additional comments: !!!!! The distribution file for this program is over 45 Mbytes and therefore is not delivered directly when Download or Email is requested. Instead a html file giving details of how the program can be obtained is sent. !!!!! Running time: Problem-dependent, typically minutes (for small cases or short simulations) to hours (large cases or long simulations).

High-throughput sequence alignment using Graphics Processing Units

PubMed Central

Schatz, Michael C; Trapnell, Cole; Delcher, Arthur L; Varshney, Amitabh

2007-01-01

Background The recent availability of new, less expensive high-throughput DNA sequencing technologies has yielded a dramatic increase in the volume of sequence data that must be analyzed. These data are being generated for several purposes, including genotyping, genome resequencing, metagenomics, and de novo genome assembly projects. Sequence alignment programs such as MUMmer have proven essential for analysis of these data, but researchers will need ever faster, high-throughput alignment tools running on inexpensive hardware to keep up with new sequence technologies. Results This paper describes MUMmerGPU, an open-source high-throughput parallel pairwise local sequence alignment program that runs on commodity Graphics Processing Units (GPUs) in common workstations. MUMmerGPU uses the new Compute Unified Device Architecture (CUDA) from nVidia to align multiple query sequences against a single reference sequence stored as a suffix tree. By processing the queries in parallel on the highly parallel graphics card, MUMmerGPU achieves more than a 10-fold speedup over a serial CPU version of the sequence alignment kernel, and outperforms the exact alignment component of MUMmer on a high end CPU by 3.5-fold in total application time when aligning reads from recent sequencing projects using Solexa/Illumina, 454, and Sanger sequencing technologies. Conclusion MUMmerGPU is a low cost, ultra-fast sequence alignment program designed to handle the increasing volume of data produced by new, high-throughput sequencing technologies. MUMmerGPU demonstrates that even memory-intensive applications can run significantly faster on the relatively low-cost GPU than on the CPU. PMID:18070356

GPU Acceleration of DSP for Communication Receivers.

PubMed

Gunther, Jake; Gunther, Hyrum; Moon, Todd

2017-09-01

Graphics processing unit (GPU) implementations of signal processing algorithms can outperform CPU-based implementations. This paper describes the GPU implementation of several algorithms encountered in a wide range of high-data rate communication receivers including filters, multirate filters, numerically controlled oscillators, and multi-stage digital down converters. These structures are tested by processing the 20 MHz wide FM radio band (88-108 MHz). Two receiver structures are explored: a single channel receiver and a filter bank channelizer. Both run in real time on NVIDIA GeForce GTX 1080 graphics card.

GPU accelerated implementation of NCI calculations using promolecular density.

PubMed

Rubez, Gaëtan; Etancelin, Jean-Matthieu; Vigouroux, Xavier; Krajecki, Michael; Boisson, Jean-Charles; Hénon, Eric

2017-05-30

The NCI approach is a modern tool to reveal chemical noncovalent interactions. It is particularly attractive to describe ligand-protein binding. A custom implementation for NCI using promolecular density is presented. It is designed to leverage the computational power of NVIDIA graphics processing unit (GPU) accelerators through the CUDA programming model. The code performances of three versions are examined on a test set of 144 systems. NCI calculations are particularly well suited to the GPU architecture, which reduces drastically the computational time. On a single compute node, the dual-GPU version leads to a 39-fold improvement for the biggest instance compared to the optimal OpenMP parallel run (C code, icc compiler) with 16 CPU cores. Energy consumption measurements carried out on both CPU and GPU NCI tests show that the GPU approach provides substantial energy savings. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Real-time track-less Cherenkov ring fitting trigger system based on Graphics Processing Units

NASA Astrophysics Data System (ADS)

Ammendola, R.; Biagioni, A.; Chiozzi, S.; Cretaro, P.; Cotta Ramusino, A.; Di Lorenzo, S.; Fantechi, R.; Fiorini, M.; Frezza, O.; Gianoli, A.; Lamanna, G.; Lo Cicero, F.; Lonardo, A.; Martinelli, M.; Neri, I.; Paolucci, P. S.; Pastorelli, E.; Piandani, R.; Piccini, M.; Pontisso, L.; Rossetti, D.; Simula, F.; Sozzi, M.; Vicini, P.

2017-12-01

The parallel computing power of commercial Graphics Processing Units (GPUs) is exploited to perform real-time ring fitting at the lowest trigger level using information coming from the Ring Imaging Cherenkov (RICH) detector of the NA62 experiment at CERN. To this purpose, direct GPU communication with a custom FPGA-based board has been used to reduce the data transmission latency. The GPU-based trigger system is currently integrated in the experimental setup of the RICH detector of the NA62 experiment, in order to reconstruct ring-shaped hit patterns. The ring-fitting algorithm running on GPU is fed with raw RICH data only, with no information coming from other detectors, and is able to provide more complex trigger primitives with respect to the simple photodetector hit multiplicity, resulting in a higher selection efficiency. The performance of the system for multi-ring Cherenkov online reconstruction obtained during the NA62 physics run is presented.

cellGPU: Massively parallel simulations of dynamic vertex models

NASA Astrophysics Data System (ADS)

Sussman, Daniel M.

2017-10-01

Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cells interacting via force laws that depend on both the geometry of the cells and the topology of the tessellation. This dependence on the connectivity of the cellular network introduces several complications to performing molecular-dynamics-like simulations of vertex models, and in particular makes parallelizing the simulations difficult. cellGPU addresses this difficulty and lays the foundation for massively parallelized, GPU-based simulations of these models. This article discusses its implementation for a pair of two-dimensional models, and compares the typical performance that can be expected between running cellGPU entirely on the CPU versus its performance when running on a range of commercial and server-grade graphics cards. By implementing the calculation of topological changes and forces on cells in a highly parallelizable fashion, cellGPU enables researchers to simulate time- and length-scales previously inaccessible via existing single-threaded CPU implementations. Program Files doi:http://dx.doi.org/10.17632/6j2cj29t3r.1 Licensing provisions: MIT Programming language: CUDA/C++ Nature of problem: Simulations of off-lattice "vertex models" of cells, in which the interaction forces depend on both the geometry and the topology of the cellular aggregate. Solution method: Highly parallelized GPU-accelerated dynamical simulations in which the force calculations and the topological features can be handled on either the CPU or GPU. Additional comments: The code is hosted at https://gitlab.com/dmsussman/cellGPU, with documentation additionally maintained at http://dmsussman.gitlab.io/cellGPUdocumentation

Viscoelastic Finite Difference Modeling Using Graphics Processing Units

NASA Astrophysics Data System (ADS)

Fabien-Ouellet, G.; Gloaguen, E.; Giroux, B.

2014-12-01

Full waveform seismic modeling requires a huge amount of computing power that still challenges today's technology. This limits the applicability of powerful processing approaches in seismic exploration like full-waveform inversion. This paper explores the use of Graphics Processing Units (GPU) to compute a time based finite-difference solution to the viscoelastic wave equation. The aim is to investigate whether the adoption of the GPU technology is susceptible to reduce significantly the computing time of simulations. The code presented herein is based on the freely accessible software of Bohlen (2002) in 2D provided under a General Public License (GNU) licence. This implementation is based on a second order centred differences scheme to approximate time differences and staggered grid schemes with centred difference of order 2, 4, 6, 8, and 12 for spatial derivatives. The code is fully parallel and is written using the Message Passing Interface (MPI), and it thus supports simulations of vast seismic models on a cluster of CPUs. To port the code from Bohlen (2002) on GPUs, the OpenCl framework was chosen for its ability to work on both CPUs and GPUs and its adoption by most of GPU manufacturers. In our implementation, OpenCL works in conjunction with MPI, which allows computations on a cluster of GPU for large-scale model simulations. We tested our code for model sizes between 1002 and 60002 elements. Comparison shows a decrease in computation time of more than two orders of magnitude between the GPU implementation run on a AMD Radeon HD 7950 and the CPU implementation run on a 2.26 GHz Intel Xeon Quad-Core. The speed-up varies depending on the order of the finite difference approximation and generally increases for higher orders. Increasing speed-ups are also obtained for increasing model size, which can be explained by kernel overheads and delays introduced by memory transfers to and from the GPU through the PCI-E bus. Those tests indicate that the GPU memory size and the slow memory transfers are the limiting factors of our GPU implementation. Those results show the benefits of using GPUs instead of CPUs for time based finite-difference seismic simulations. The reductions in computation time and in hardware costs are significant and open the door for new approaches in seismic inversion.

OpenACC acceleration of an unstructured CFD solver based on a reconstructed discontinuous Galerkin method for compressible flows

DOE PAGES

Xia, Yidong; Lou, Jialin; Luo, Hong; ...

2015-02-09

Here, an OpenACC directive-based graphics processing unit (GPU) parallel scheme is presented for solving the compressible Navier–Stokes equations on 3D hybrid unstructured grids with a third-order reconstructed discontinuous Galerkin method. The developed scheme requires the minimum code intrusion and algorithm alteration for upgrading a legacy solver with the GPU computing capability at very little extra effort in programming, which leads to a unified and portable code development strategy. A face coloring algorithm is adopted to eliminate the memory contention because of the threading of internal and boundary face integrals. A number of flow problems are presented to verify the implementationmore » of the developed scheme. Timing measurements were obtained by running the resulting GPU code on one Nvidia Tesla K20c GPU card (Nvidia Corporation, Santa Clara, CA, USA) and compared with those obtained by running the equivalent Message Passing Interface (MPI) parallel CPU code on a compute node (consisting of two AMD Opteron 6128 eight-core CPUs (Advanced Micro Devices, Inc., Sunnyvale, CA, USA)). Speedup factors of up to 24× and 1.6× for the GPU code were achieved with respect to one and 16 CPU cores, respectively. The numerical results indicate that this OpenACC-based parallel scheme is an effective and extensible approach to port unstructured high-order CFD solvers to GPU computing.« less

Study on efficiency of time computation in x-ray imaging simulation base on Monte Carlo algorithm using graphics processing unit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Setiani, Tia Dwi, E-mail: tiadwisetiani@gmail.com; Suprijadi; Nuclear Physics and Biophysics Reaserch Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung Jalan Ganesha 10 Bandung, 40132

Monte Carlo (MC) is one of the powerful techniques for simulation in x-ray imaging. MC method can simulate the radiation transport within matter with high accuracy and provides a natural way to simulate radiation transport in complex systems. One of the codes based on MC algorithm that are widely used for radiographic images simulation is MC-GPU, a codes developed by Andrea Basal. This study was aimed to investigate the time computation of x-ray imaging simulation in GPU (Graphics Processing Unit) compared to a standard CPU (Central Processing Unit). Furthermore, the effect of physical parameters to the quality of radiographic imagesmore » and the comparison of image quality resulted from simulation in the GPU and CPU are evaluated in this paper. The simulations were run in CPU which was simulated in serial condition, and in two GPU with 384 cores and 2304 cores. In simulation using GPU, each cores calculates one photon, so, a large number of photon were calculated simultaneously. Results show that the time simulations on GPU were significantly accelerated compared to CPU. The simulations on the 2304 core of GPU were performed about 64 -114 times faster than on CPU, while the simulation on the 384 core of GPU were performed about 20 – 31 times faster than in a single core of CPU. Another result shows that optimum quality of images from the simulation was gained at the history start from 10{sup 8} and the energy from 60 Kev to 90 Kev. Analyzed by statistical approach, the quality of GPU and CPU images are relatively the same.« less

Parallelization and checkpointing of GPU applications through program transformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solano-Quinde, Lizandro Damian

2012-01-01

GPUs have emerged as a powerful tool for accelerating general-purpose applications. The availability of programming languages that makes writing general-purpose applications for running on GPUs tractable have consolidated GPUs as an alternative for accelerating general purpose applications. Among the areas that have benefited from GPU acceleration are: signal and image processing, computational fluid dynamics, quantum chemistry, and, in general, the High Performance Computing (HPC) Industry. In order to continue to exploit higher levels of parallelism with GPUs, multi-GPU systems are gaining popularity. In this context, single-GPU applications are parallelized for running in multi-GPU systems. Furthermore, multi-GPU systems help to solvemore » the GPU memory limitation for applications with large application memory footprint. Parallelizing single-GPU applications has been approached by libraries that distribute the workload at runtime, however, they impose execution overhead and are not portable. On the other hand, on traditional CPU systems, parallelization has been approached through application transformation at pre-compile time, which enhances the application to distribute the workload at application level and does not have the issues of library-based approaches. Hence, a parallelization scheme for GPU systems based on application transformation is needed. Like any computing engine of today, reliability is also a concern in GPUs. GPUs are vulnerable to transient and permanent failures. Current checkpoint/restart techniques are not suitable for systems with GPUs. Checkpointing for GPU systems present new and interesting challenges, primarily due to the natural differences imposed by the hardware design, the memory subsystem architecture, the massive number of threads, and the limited amount of synchronization among threads. Therefore, a checkpoint/restart technique suitable for GPU systems is needed. The goal of this work is to exploit higher levels of parallelism and to develop support for application-level fault tolerance in applications using multiple GPUs. Our techniques reduce the burden of enhancing single-GPU applications to support these features. To achieve our goal, this work designs and implements a framework for enhancing a single-GPU OpenCL application through application transformation.« less

Accelerating 3D Hall MHD Magnetosphere Simulations with Graphics Processing Units

NASA Astrophysics Data System (ADS)

Bard, C.; Dorelli, J.

2017-12-01

The resolution required to simulate planetary magnetospheres with Hall magnetohydrodynamics result in program sizes approaching several hundred million grid cells. These would take years to run on a single computational core and require hundreds or thousands of computational cores to complete in a reasonable time. However, this requires access to the largest supercomputers. Graphics processing units (GPUs) provide a viable alternative: one GPU can do the work of roughly 100 cores, bringing Hall MHD simulations of Ganymede within reach of modest GPU clusters ( 8 GPUs). We report our progress in developing a GPU-accelerated, three-dimensional Hall magnetohydrodynamic code and present Hall MHD simulation results for both Ganymede (run on 8 GPUs) and Mercury (56 GPUs). We benchmark our Ganymede simulation with previous results for the Galileo G8 flyby, namely that adding the Hall term to ideal MHD simulations changes the global convection pattern within the magnetosphere. Additionally, we present new results for the G1 flyby as well as initial results from Hall MHD simulations of Mercury and compare them with the corresponding ideal MHD runs.

TH-A-18C-09: Ultra-Fast Monte Carlo Simulation for Cone Beam CT Imaging of Brain Trauma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sisniega, A; Zbijewski, W; Stayman, J

Purpose: Application of cone-beam CT (CBCT) to low-contrast soft tissue imaging, such as in detection of traumatic brain injury, is challenged by high levels of scatter. A fast, accurate scatter correction method based on Monte Carlo (MC) estimation is developed for application in high-quality CBCT imaging of acute brain injury. Methods: The correction involves MC scatter estimation executed on an NVIDIA GTX 780 GPU (MC-GPU), with baseline simulation speed of ~1e7 photons/sec. MC-GPU is accelerated by a novel, GPU-optimized implementation of variance reduction (VR) techniques (forced detection and photon splitting). The number of simulated tracks and projections is reduced formore » additional speed-up. Residual noise is removed and the missing scatter projections are estimated via kernel smoothing (KS) in projection plane and across gantry angles. The method is assessed using CBCT images of a head phantom presenting a realistic simulation of fresh intracranial hemorrhage (100 kVp, 180 mAs, 720 projections, source-detector distance 700 mm, source-axis distance 480 mm). Results: For a fixed run-time of ~1 sec/projection, GPU-optimized VR reduces the noise in MC-GPU scatter estimates by a factor of 4. For scatter correction, MC-GPU with VR is executed with 4-fold angular downsampling and 1e5 photons/projection, yielding 3.5 minute run-time per scan, and de-noised with optimized KS. Corrected CBCT images demonstrate uniformity improvement of 18 HU and contrast improvement of 26 HU compared to no correction, and a 52% increase in contrast-tonoise ratio in simulated hemorrhage compared to “oracle” constant fraction correction. Conclusion: Acceleration of MC-GPU achieved through GPU-optimized variance reduction and kernel smoothing yields an efficient (<5 min/scan) and accurate scatter correction that does not rely on additional hardware or simplifying assumptions about the scatter distribution. The method is undergoing implementation in a novel CBCT dedicated to brain trauma imaging at the point of care in sports and military applications. Research grant from Carestream Health. JY is an employee of Carestream Health.« less

Multi-GPU Accelerated Admittance Method for High-Resolution Human Exposure Evaluation.

PubMed

Xiong, Zubiao; Feng, Shi; Kautz, Richard; Chandra, Sandeep; Altunyurt, Nevin; Chen, Ji

2015-12-01

A multi-graphics processing unit (GPU) accelerated admittance method solver is presented for solving the induced electric field in high-resolution anatomical models of human body when exposed to external low-frequency magnetic fields. In the solver, the anatomical model is discretized as a three-dimensional network of admittances. The conjugate orthogonal conjugate gradient (COCG) iterative algorithm is employed to take advantage of the symmetric property of the complex-valued linear system of equations. Compared against the widely used biconjugate gradient stabilized method, the COCG algorithm can reduce the solving time by 3.5 times and reduce the storage requirement by about 40%. The iterative algorithm is then accelerated further by using multiple NVIDIA GPUs. The computations and data transfers between GPUs are overlapped in time by using asynchronous concurrent execution design. The communication overhead is well hidden so that the acceleration is nearly linear with the number of GPU cards. Numerical examples show that our GPU implementation running on four NVIDIA Tesla K20c cards can reach 90 times faster than the CPU implementation running on eight CPU cores (two Intel Xeon E5-2603 processors). The implemented solver is able to solve large dimensional problems efficiently. A whole adult body discretized in 1-mm resolution can be solved in just several minutes. The high efficiency achieved makes it practical to investigate human exposure involving a large number of cases with a high resolution that meets the requirements of international dosimetry guidelines.

Data assimilation using a GPU accelerated path integral Monte Carlo approach

NASA Astrophysics Data System (ADS)

Quinn, John C.; Abarbanel, Henry D. I.

2011-09-01

The answers to data assimilation questions can be expressed as path integrals over all possible state and parameter histories. We show how these path integrals can be evaluated numerically using a Markov Chain Monte Carlo method designed to run in parallel on a graphics processing unit (GPU). We demonstrate the application of the method to an example with a transmembrane voltage time series of a simulated neuron as an input, and using a Hodgkin-Huxley neuron model. By taking advantage of GPU computing, we gain a parallel speedup factor of up to about 300, compared to an equivalent serial computation on a CPU, with performance increasing as the length of the observation time used for data assimilation increases.

Celeris: A GPU-accelerated open source software with a Boussinesq-type wave solver for real-time interactive simulation and visualization

NASA Astrophysics Data System (ADS)

Tavakkol, Sasan; Lynett, Patrick

2017-08-01

In this paper, we introduce an interactive coastal wave simulation and visualization software, called Celeris. Celeris is an open source software which needs minimum preparation to run on a Windows machine. The software solves the extended Boussinesq equations using a hybrid finite volume-finite difference method and supports moving shoreline boundaries. The simulation and visualization are performed on the GPU using Direct3D libraries, which enables the software to run faster than real-time. Celeris provides a first-of-its-kind interactive modeling platform for coastal wave applications and it supports simultaneous visualization with both photorealistic and colormapped rendering capabilities. We validate our software through comparison with three standard benchmarks for non-breaking and breaking waves.

RSTensorFlow: GPU Enabled TensorFlow for Deep Learning on Commodity Android Devices

PubMed Central

Alzantot, Moustafa; Wang, Yingnan; Ren, Zhengshuang; Srivastava, Mani B.

2018-01-01

Mobile devices have become an essential part of our daily lives. By virtue of both their increasing computing power and the recent progress made in AI, mobile devices evolved to act as intelligent assistants in many tasks rather than a mere way of making phone calls. However, popular and commonly used tools and frameworks for machine intelligence are still lacking the ability to make proper use of the available heterogeneous computing resources on mobile devices. In this paper, we study the benefits of utilizing the heterogeneous (CPU and GPU) computing resources available on commodity android devices while running deep learning models. We leveraged the heterogeneous computing framework RenderScript to accelerate the execution of deep learning models on commodity Android devices. Our system is implemented as an extension to the popular open-source framework TensorFlow. By integrating our acceleration framework tightly into TensorFlow, machine learning engineers can now easily make benefit of the heterogeneous computing resources on mobile devices without the need of any extra tools. We evaluate our system on different android phones models to study the trade-offs of running different neural network operations on the GPU. We also compare the performance of running different models architectures such as convolutional and recurrent neural networks on CPU only vs using heterogeneous computing resources. Our result shows that although GPUs on the phones are capable of offering substantial performance gain in matrix multiplication on mobile devices. Therefore, models that involve multiplication of large matrices can run much faster (approx. 3 times faster in our experiments) due to GPU support. PMID:29629431

RSTensorFlow: GPU Enabled TensorFlow for Deep Learning on Commodity Android Devices.

PubMed

Alzantot, Moustafa; Wang, Yingnan; Ren, Zhengshuang; Srivastava, Mani B

2017-06-01

Mobile devices have become an essential part of our daily lives. By virtue of both their increasing computing power and the recent progress made in AI, mobile devices evolved to act as intelligent assistants in many tasks rather than a mere way of making phone calls. However, popular and commonly used tools and frameworks for machine intelligence are still lacking the ability to make proper use of the available heterogeneous computing resources on mobile devices. In this paper, we study the benefits of utilizing the heterogeneous (CPU and GPU) computing resources available on commodity android devices while running deep learning models. We leveraged the heterogeneous computing framework RenderScript to accelerate the execution of deep learning models on commodity Android devices. Our system is implemented as an extension to the popular open-source framework TensorFlow. By integrating our acceleration framework tightly into TensorFlow, machine learning engineers can now easily make benefit of the heterogeneous computing resources on mobile devices without the need of any extra tools. We evaluate our system on different android phones models to study the trade-offs of running different neural network operations on the GPU. We also compare the performance of running different models architectures such as convolutional and recurrent neural networks on CPU only vs using heterogeneous computing resources. Our result shows that although GPUs on the phones are capable of offering substantial performance gain in matrix multiplication on mobile devices. Therefore, models that involve multiplication of large matrices can run much faster (approx. 3 times faster in our experiments) due to GPU support.

Multi-core and GPU accelerated simulation of a radial star target imaged with equivalent t-number circular and Gaussian pupils

NASA Astrophysics Data System (ADS)

Greynolds, Alan W.

2013-09-01

Results from the GelOE optical engineering software are presented for the through-focus, monochromatic coherent and polychromatic incoherent imaging of a radial "star" target for equivalent t-number circular and Gaussian pupils. The FFT-based simulations are carried out using OpenMP threading on a multi-core desktop computer, with and without the aid of a many-core NVIDIA GPU accessing its cuFFT library. It is found that a custom FFT optimized for the 12-core host has similar performance to a simply implemented 256-core GPU FFT. A more sophisticated version of the latter but tuned to reduce overhead on a 448-core GPU is 20 to 28 times faster than a basic FFT implementation running on one CPU core.

Determinant Computation on the GPU using the Condensation Method

NASA Astrophysics Data System (ADS)

Anisul Haque, Sardar; Moreno Maza, Marc

2012-02-01

We report on a GPU implementation of the condensation method designed by Abdelmalek Salem and Kouachi Said for computing the determinant of a matrix. We consider two types of coefficients: modular integers and floating point numbers. We evaluate the performance of our code by measuring its effective bandwidth and argue that it is numerical stable in the floating point number case. In addition, we compare our code with serial implementation of determinant computation from well-known mathematical packages. Our results suggest that a GPU implementation of the condensation method has a large potential for improving those packages in terms of running time and numerical stability.

Parallel design of JPEG-LS encoder on graphics processing units

NASA Astrophysics Data System (ADS)

Duan, Hao; Fang, Yong; Huang, Bormin

2012-01-01

With recent technical advances in graphic processing units (GPUs), GPUs have outperformed CPUs in terms of compute capability and memory bandwidth. Many successful GPU applications to high performance computing have been reported. JPEG-LS is an ISO/IEC standard for lossless image compression which utilizes adaptive context modeling and run-length coding to improve compression ratio. However, adaptive context modeling causes data dependency among adjacent pixels and the run-length coding has to be performed in a sequential way. Hence, using JPEG-LS to compress large-volume hyperspectral image data is quite time-consuming. We implement an efficient parallel JPEG-LS encoder for lossless hyperspectral compression on a NVIDIA GPU using the computer unified device architecture (CUDA) programming technology. We use the block parallel strategy, as well as such CUDA techniques as coalesced global memory access, parallel prefix sum, and asynchronous data transfer. We also show the relation between GPU speedup and AVIRIS block size, as well as the relation between compression ratio and AVIRIS block size. When AVIRIS images are divided into blocks, each with 64×64 pixels, we gain the best GPU performance with 26.3x speedup over its original CPU code.

Graphics Processing Unit (GPU) implementation of image processing algorithms to improve system performance of the Control, Acquisition, Processing, and Image Display System (CAPIDS) of the Micro-Angiographic Fluoroscope (MAF).

PubMed

Vasan, S N Swetadri; Ionita, Ciprian N; Titus, A H; Cartwright, A N; Bednarek, D R; Rudin, S

2012-02-23

We present the image processing upgrades implemented on a Graphics Processing Unit (GPU) in the Control, Acquisition, Processing, and Image Display System (CAPIDS) for the custom Micro-Angiographic Fluoroscope (MAF) detector. Most of the image processing currently implemented in the CAPIDS system is pixel independent; that is, the operation on each pixel is the same and the operation on one does not depend upon the result from the operation on the other, allowing the entire image to be processed in parallel. GPU hardware was developed for this kind of massive parallel processing implementation. Thus for an algorithm which has a high amount of parallelism, a GPU implementation is much faster than a CPU implementation. The image processing algorithm upgrades implemented on the CAPIDS system include flat field correction, temporal filtering, image subtraction, roadmap mask generation and display window and leveling. A comparison between the previous and the upgraded version of CAPIDS has been presented, to demonstrate how the improvement is achieved. By performing the image processing on a GPU, significant improvements (with respect to timing or frame rate) have been achieved, including stable operation of the system at 30 fps during a fluoroscopy run, a DSA run, a roadmap procedure and automatic image windowing and leveling during each frame.

GPU-Accelerated Stony-Brook University 5-class Microphysics Scheme in WRF

NASA Astrophysics Data System (ADS)

Mielikainen, J.; Huang, B.; Huang, A.

2011-12-01

The Weather Research and Forecasting (WRF) model is a next-generation mesoscale numerical weather prediction system. Microphysics plays an important role in weather and climate prediction. Several bulk water microphysics schemes are available within the WRF, with different numbers of simulated hydrometeor classes and methods for estimating their size fall speeds, distributions and densities. Stony-Brook University scheme (SBU-YLIN) is a 5-class scheme with riming intensity predicted to account for mixed-phase processes. In the past few years, co-processing on Graphics Processing Units (GPUs) has been a disruptive technology in High Performance Computing (HPC). GPUs use the ever increasing transistor count for adding more processor cores. Therefore, GPUs are well suited for massively data parallel processing with high floating point arithmetic intensity. Thus, it is imperative to update legacy scientific applications to take advantage of this unprecedented increase in computing power. CUDA is an extension to the C programming language offering programming GPU's directly. It is designed so that its constructs allow for natural expression of data-level parallelism. A CUDA program is organized into two parts: a serial program running on the CPU and a CUDA kernel running on the GPU. The CUDA code consists of three computational phases: transmission of data into the global memory of the GPU, execution of the CUDA kernel, and transmission of results from the GPU into the memory of CPU. CUDA takes a bottom-up point of view of parallelism is which thread is an atomic unit of parallelism. Individual threads are part of groups called warps, within which every thread executes exactly the same sequence of instructions. To test SBU-YLIN, we used a CONtinental United States (CONUS) benchmark data set for 12 km resolution domain for October 24, 2001. A WRF domain is a geographic region of interest discretized into a 2-dimensional grid parallel to the ground. Each grid point has multiple levels, which correspond to various vertical heights in the atmosphere. The size of the CONUS 12 km domain is 433 x 308 horizontal grid points with 35 vertical levels. First, the entire SBU-YLIN Fortran code was rewritten in C in preparation of GPU accelerated version. After that, C code was verified against Fortran code for identical outputs. Default compiler options from WRF were used for gfortran and gcc compilers. The processing time for the original Fortran code is 12274 ms and 12893 ms for C version. The processing times for GPU implementation of SBU-YLIN microphysics scheme with I/O are 57.7 ms and 37.2 ms for 1 and 2 GPUs, respectively. The corresponding speedups are 213x and 330x compared to a Fortran implementation. Without I/O the speedup is 896x on 1 GPU. Obviously, ignoring I/O time speedup scales linearly with GPUs. Thus, 2 GPUs have a speedup of 1788x without I/O. Microphysics computation is just a small part of the whole WRF model. After having completely implemented WRF on GPU, the inputs for SBU-YLIN do not have to be transferred from CPU. Instead they are results of previous WRF modules. Therefore, the role of I/O is greatly diminished once all of WRF have been converted to run on GPUs. In the near future, we expect to have a WRF running completely on GPUs for a superior performance.

Fast data preprocessing with Graphics Processing Units for inverse problem solving in light-scattering measurements

NASA Astrophysics Data System (ADS)

Derkachov, G.; Jakubczyk, T.; Jakubczyk, D.; Archer, J.; Woźniak, M.

2017-07-01

Utilising Compute Unified Device Architecture (CUDA) platform for Graphics Processing Units (GPUs) enables significant reduction of computation time at a moderate cost, by means of parallel computing. In the paper [Jakubczyk et al., Opto-Electron. Rev., 2016] we reported using GPU for Mie scattering inverse problem solving (up to 800-fold speed-up). Here we report the development of two subroutines utilising GPU at data preprocessing stages for the inversion procedure: (i) A subroutine, based on ray tracing, for finding spherical aberration correction function. (ii) A subroutine performing the conversion of an image to a 1D distribution of light intensity versus azimuth angle (i.e. scattering diagram), fed from a movie-reading CPU subroutine running in parallel. All subroutines are incorporated in PikeReader application, which we make available on GitHub repository. PikeReader returns a sequence of intensity distributions versus a common azimuth angle vector, corresponding to the recorded movie. We obtained an overall ∼ 400 -fold speed-up of calculations at data preprocessing stages using CUDA codes running on GPU in comparison to single thread MATLAB-only code running on CPU.

Design and implementation of a hybrid MPI-CUDA model for the Smith-Waterman algorithm.

PubMed

Khaled, Heba; Faheem, Hossam El Deen Mostafa; El Gohary, Rania

2015-01-01

This paper provides a novel hybrid model for solving the multiple pair-wise sequence alignment problem combining message passing interface and CUDA, the parallel computing platform and programming model invented by NVIDIA. The proposed model targets homogeneous cluster nodes equipped with similar Graphical Processing Unit (GPU) cards. The model consists of the Master Node Dispatcher (MND) and the Worker GPU Nodes (WGN). The MND distributes the workload among the cluster working nodes and then aggregates the results. The WGN performs the multiple pair-wise sequence alignments using the Smith-Waterman algorithm. We also propose a modified implementation to the Smith-Waterman algorithm based on computing the alignment matrices row-wise. The experimental results demonstrate a considerable reduction in the running time by increasing the number of the working GPU nodes. The proposed model achieved a performance of about 12 Giga cell updates per second when we tested against the SWISS-PROT protein knowledge base running on four nodes.

Accelerating Smith-Waterman Alignment for Protein Database Search Using Frequency Distance Filtration Scheme Based on CPU-GPU Collaborative System.

PubMed

Liu, Yu; Hong, Yang; Lin, Chun-Yuan; Hung, Che-Lun

2015-01-01

The Smith-Waterman (SW) algorithm has been widely utilized for searching biological sequence databases in bioinformatics. Recently, several works have adopted the graphic card with Graphic Processing Units (GPUs) and their associated CUDA model to enhance the performance of SW computations. However, these works mainly focused on the protein database search by using the intertask parallelization technique, and only using the GPU capability to do the SW computations one by one. Hence, in this paper, we will propose an efficient SW alignment method, called CUDA-SWfr, for the protein database search by using the intratask parallelization technique based on a CPU-GPU collaborative system. Before doing the SW computations on GPU, a procedure is applied on CPU by using the frequency distance filtration scheme (FDFS) to eliminate the unnecessary alignments. The experimental results indicate that CUDA-SWfr runs 9.6 times and 96 times faster than the CPU-based SW method without and with FDFS, respectively.

The density matrix renormalization group algorithm on kilo-processor architectures: Implementation and trade-offs

NASA Astrophysics Data System (ADS)

Nemes, Csaba; Barcza, Gergely; Nagy, Zoltán; Legeza, Örs; Szolgay, Péter

2014-06-01

In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization group (DMRG) algorithm, in which the run-time is dominated by the iterative diagonalization of the Hamilton operator. As the most time-dominant step of the diagonalization can be expressed as a list of dense matrix operations, the DMRG is an appealing candidate to fully utilize the computing power residing in novel kilo-processor architectures. In the paper a smart hybrid CPU-GPU implementation is presented, which exploits the power of both CPU and GPU and tolerates problems exceeding the GPU memory size. Furthermore, a new CUDA kernel has been designed for asymmetric matrix-vector multiplication to accelerate the rest of the diagonalization. Besides the evaluation of the GPU implementation, the practical limits of an FPGA implementation are also discussed.

GPU-accelerated Tersoff potentials for massively parallel Molecular Dynamics simulations

NASA Astrophysics Data System (ADS)

Nguyen, Trung Dac

2017-03-01

The Tersoff potential is one of the empirical many-body potentials that has been widely used in simulation studies at atomic scales. Unlike pair-wise potentials, the Tersoff potential involves three-body terms, which require much more arithmetic operations and data dependency. In this contribution, we have implemented the GPU-accelerated version of several variants of the Tersoff potential for LAMMPS, an open-source massively parallel Molecular Dynamics code. Compared to the existing MPI implementation in LAMMPS, the GPU implementation exhibits a better scalability and offers a speedup of 2.2X when run on 1000 compute nodes on the Titan supercomputer. On a single node, the speedup ranges from 2.0 to 8.0 times, depending on the number of atoms per GPU and hardware configurations. The most notable features of our GPU-accelerated version include its design for MPI/accelerator heterogeneous parallelism, its compatibility with other functionalities in LAMMPS, its ability to give deterministic results and to support both NVIDIA CUDA- and OpenCL-enabled accelerators. Our implementation is now part of the GPU package in LAMMPS and accessible for public use.

A GPU OpenCL based cross-platform Monte Carlo dose calculation engine (goMC)

NASA Astrophysics Data System (ADS)

Tian, Zhen; Shi, Feng; Folkerts, Michael; Qin, Nan; Jiang, Steve B.; Jia, Xun

2015-09-01

Monte Carlo (MC) simulation has been recognized as the most accurate dose calculation method for radiotherapy. However, the extremely long computation time impedes its clinical application. Recently, a lot of effort has been made to realize fast MC dose calculation on graphic processing units (GPUs). However, most of the GPU-based MC dose engines have been developed under NVidia’s CUDA environment. This limits the code portability to other platforms, hindering the introduction of GPU-based MC simulations to clinical practice. The objective of this paper is to develop a GPU OpenCL based cross-platform MC dose engine named goMC with coupled photon-electron simulation for external photon and electron radiotherapy in the MeV energy range. Compared to our previously developed GPU-based MC code named gDPM (Jia et al 2012 Phys. Med. Biol. 57 7783-97), goMC has two major differences. First, it was developed under the OpenCL environment for high code portability and hence could be run not only on different GPU cards but also on CPU platforms. Second, we adopted the electron transport model used in EGSnrc MC package and PENELOPE’s random hinge method in our new dose engine, instead of the dose planning method employed in gDPM. Dose distributions were calculated for a 15 MeV electron beam and a 6 MV photon beam in a homogenous water phantom, a water-bone-lung-water slab phantom and a half-slab phantom. Satisfactory agreement between the two MC dose engines goMC and gDPM was observed in all cases. The average dose differences in the regions that received a dose higher than 10% of the maximum dose were 0.48-0.53% for the electron beam cases and 0.15-0.17% for the photon beam cases. In terms of efficiency, goMC was ~4-16% slower than gDPM when running on the same NVidia TITAN card for all the cases we tested, due to both the different electron transport models and the different development environments. The code portability of our new dose engine goMC was validated by successfully running it on a variety of different computing devices including an NVidia GPU card, two AMD GPU cards and an Intel CPU processor. Computational efficiency among these platforms was compared.

A GPU OpenCL based cross-platform Monte Carlo dose calculation engine (goMC).

PubMed

Tian, Zhen; Shi, Feng; Folkerts, Michael; Qin, Nan; Jiang, Steve B; Jia, Xun

2015-10-07

Monte Carlo (MC) simulation has been recognized as the most accurate dose calculation method for radiotherapy. However, the extremely long computation time impedes its clinical application. Recently, a lot of effort has been made to realize fast MC dose calculation on graphic processing units (GPUs). However, most of the GPU-based MC dose engines have been developed under NVidia's CUDA environment. This limits the code portability to other platforms, hindering the introduction of GPU-based MC simulations to clinical practice. The objective of this paper is to develop a GPU OpenCL based cross-platform MC dose engine named goMC with coupled photon-electron simulation for external photon and electron radiotherapy in the MeV energy range. Compared to our previously developed GPU-based MC code named gDPM (Jia et al 2012 Phys. Med. Biol. 57 7783-97), goMC has two major differences. First, it was developed under the OpenCL environment for high code portability and hence could be run not only on different GPU cards but also on CPU platforms. Second, we adopted the electron transport model used in EGSnrc MC package and PENELOPE's random hinge method in our new dose engine, instead of the dose planning method employed in gDPM. Dose distributions were calculated for a 15 MeV electron beam and a 6 MV photon beam in a homogenous water phantom, a water-bone-lung-water slab phantom and a half-slab phantom. Satisfactory agreement between the two MC dose engines goMC and gDPM was observed in all cases. The average dose differences in the regions that received a dose higher than 10% of the maximum dose were 0.48-0.53% for the electron beam cases and 0.15-0.17% for the photon beam cases. In terms of efficiency, goMC was ~4-16% slower than gDPM when running on the same NVidia TITAN card for all the cases we tested, due to both the different electron transport models and the different development environments. The code portability of our new dose engine goMC was validated by successfully running it on a variety of different computing devices including an NVidia GPU card, two AMD GPU cards and an Intel CPU processor. Computational efficiency among these platforms was compared.

Fast-GPU-PCC: A GPU-Based Technique to Compute Pairwise Pearson's Correlation Coefficients for Time Series Data-fMRI Study.

PubMed

Eslami, Taban; Saeed, Fahad

2018-04-20

Functional magnetic resonance imaging (fMRI) is a non-invasive brain imaging technique, which has been regularly used for studying brain’s functional activities in the past few years. A very well-used measure for capturing functional associations in brain is Pearson’s correlation coefficient. Pearson’s correlation is widely used for constructing functional network and studying dynamic functional connectivity of the brain. These are useful measures for understanding the effects of brain disorders on connectivities among brain regions. The fMRI scanners produce huge number of voxels and using traditional central processing unit (CPU)-based techniques for computing pairwise correlations is very time consuming especially when large number of subjects are being studied. In this paper, we propose a graphics processing unit (GPU)-based algorithm called Fast-GPU-PCC for computing pairwise Pearson’s correlation coefficient. Based on the symmetric property of Pearson’s correlation, this approach returns N ( N − 1 ) / 2 correlation coefficients located at strictly upper triangle part of the correlation matrix. Storing correlations in a one-dimensional array with the order as proposed in this paper is useful for further usage. Our experiments on real and synthetic fMRI data for different number of voxels and varying length of time series show that the proposed approach outperformed state of the art GPU-based techniques as well as the sequential CPU-based versions. We show that Fast-GPU-PCC runs 62 times faster than CPU-based version and about 2 to 3 times faster than two other state of the art GPU-based methods.

GPURFSCREEN: a GPU based virtual screening tool using random forest classifier.

PubMed

Jayaraj, P B; Ajay, Mathias K; Nufail, M; Gopakumar, G; Jaleel, U C A

2016-01-01

In-silico methods are an integral part of modern drug discovery paradigm. Virtual screening, an in-silico method, is used to refine data models and reduce the chemical space on which wet lab experiments need to be performed. Virtual screening of a ligand data model requires large scale computations, making it a highly time consuming task. This process can be speeded up by implementing parallelized algorithms on a Graphical Processing Unit (GPU). Random Forest is a robust classification algorithm that can be employed in the virtual screening. A ligand based virtual screening tool (GPURFSCREEN) that uses random forests on GPU systems has been proposed and evaluated in this paper. This tool produces optimized results at a lower execution time for large bioassay data sets. The quality of results produced by our tool on GPU is same as that on a regular serial environment. Considering the magnitude of data to be screened, the parallelized virtual screening has a significantly lower running time at high throughput. The proposed parallel tool outperforms its serial counterpart by successfully screening billions of molecules in training and prediction phases.

General purpose molecular dynamics simulations fully implemented on graphics processing units

NASA Astrophysics Data System (ADS)

Anderson, Joshua A.; Lorenz, Chris D.; Travesset, A.

2008-05-01

Graphics processing units (GPUs), originally developed for rendering real-time effects in computer games, now provide unprecedented computational power for scientific applications. In this paper, we develop a general purpose molecular dynamics code that runs entirely on a single GPU. It is shown that our GPU implementation provides a performance equivalent to that of fast 30 processor core distributed memory cluster. Our results show that GPUs already provide an inexpensive alternative to such clusters and discuss implications for the future.

NMF-mGPU: non-negative matrix factorization on multi-GPU systems.

PubMed

Mejía-Roa, Edgardo; Tabas-Madrid, Daniel; Setoain, Javier; García, Carlos; Tirado, Francisco; Pascual-Montano, Alberto

2015-02-13

In the last few years, the Non-negative Matrix Factorization ( NMF ) technique has gained a great interest among the Bioinformatics community, since it is able to extract interpretable parts from high-dimensional datasets. However, the computing time required to process large data matrices may become impractical, even for a parallel application running on a multiprocessors cluster. In this paper, we present NMF-mGPU, an efficient and easy-to-use implementation of the NMF algorithm that takes advantage of the high computing performance delivered by Graphics-Processing Units ( GPUs ). Driven by the ever-growing demands from the video-games industry, graphics cards usually provided in PCs and laptops have evolved from simple graphics-drawing platforms into high-performance programmable systems that can be used as coprocessors for linear-algebra operations. However, these devices may have a limited amount of on-board memory, which is not considered by other NMF implementations on GPU. NMF-mGPU is based on CUDA ( Compute Unified Device Architecture ), the NVIDIA's framework for GPU computing. On devices with low memory available, large input matrices are blockwise transferred from the system's main memory to the GPU's memory, and processed accordingly. In addition, NMF-mGPU has been explicitly optimized for the different CUDA architectures. Finally, platforms with multiple GPUs can be synchronized through MPI ( Message Passing Interface ). In a four-GPU system, this implementation is about 120 times faster than a single conventional processor, and more than four times faster than a single GPU device (i.e., a super-linear speedup). Applications of GPUs in Bioinformatics are getting more and more attention due to their outstanding performance when compared to traditional processors. In addition, their relatively low price represents a highly cost-effective alternative to conventional clusters. In life sciences, this results in an excellent opportunity to facilitate the daily work of bioinformaticians that are trying to extract biological meaning out of hundreds of gigabytes of experimental information. NMF-mGPU can be used "out of the box" by researchers with little or no expertise in GPU programming in a variety of platforms, such as PCs, laptops, or high-end GPU clusters. NMF-mGPU is freely available at https://github.com/bioinfo-cnb/bionmf-gpu .

Implementation of GPU accelerated SPECT reconstruction with Monte Carlo-based scatter correction.

PubMed

Bexelius, Tobias; Sohlberg, Antti

2018-06-01

Statistical SPECT reconstruction can be very time-consuming especially when compensations for collimator and detector response, attenuation, and scatter are included in the reconstruction. This work proposes an accelerated SPECT reconstruction algorithm based on graphics processing unit (GPU) processing. Ordered subset expectation maximization (OSEM) algorithm with CT-based attenuation modelling, depth-dependent Gaussian convolution-based collimator-detector response modelling, and Monte Carlo-based scatter compensation was implemented using OpenCL. The OpenCL implementation was compared against the existing multi-threaded OSEM implementation running on a central processing unit (CPU) in terms of scatter-to-primary ratios, standardized uptake values (SUVs), and processing speed using mathematical phantoms and clinical multi-bed bone SPECT/CT studies. The difference in scatter-to-primary ratios, visual appearance, and SUVs between GPU and CPU implementations was minor. On the other hand, at its best, the GPU implementation was noticed to be 24 times faster than the multi-threaded CPU version on a normal 128 × 128 matrix size 3 bed bone SPECT/CT data set when compensations for collimator and detector response, attenuation, and scatter were included. GPU SPECT reconstructions show great promise as an every day clinical reconstruction tool.

3D Data Denoising via Nonlocal Means Filter by Using Parallel GPU Strategies

PubMed Central

Cuomo, Salvatore; De Michele, Pasquale; Piccialli, Francesco

2014-01-01

Nonlocal Means (NLM) algorithm is widely considered as a state-of-the-art denoising filter in many research fields. Its high computational complexity leads researchers to the development of parallel programming approaches and the use of massively parallel architectures such as the GPUs. In the recent years, the GPU devices had led to achieving reasonable running times by filtering, slice-by-slice, and 3D datasets with a 2D NLM algorithm. In our approach we design and implement a fully 3D NonLocal Means parallel approach, adopting different algorithm mapping strategies on GPU architecture and multi-GPU framework, in order to demonstrate its high applicability and scalability. The experimental results we obtained encourage the usability of our approach in a large spectrum of applicative scenarios such as magnetic resonance imaging (MRI) or video sequence denoising. PMID:25045397

Aerodynamic optimization of supersonic compressor cascade using differential evolution on GPU

NASA Astrophysics Data System (ADS)

Aissa, Mohamed Hasanine; Verstraete, Tom; Vuik, Cornelis

2016-06-01

Differential Evolution (DE) is a powerful stochastic optimization method. Compared to gradient-based algorithms, DE is able to avoid local minima but requires at the same time more function evaluations. In turbomachinery applications, function evaluations are performed with time-consuming CFD simulation, which results in a long, non affordable, design cycle. Modern High Performance Computing systems, especially Graphic Processing Units (GPUs), are able to alleviate this inconvenience by accelerating the design evaluation itself. In this work we present a validated CFD Solver running on GPUs, able to accelerate the design evaluation and thus the entire design process. An achieved speedup of 20x to 30x enabled the DE algorithm to run on a high-end computer instead of a costly large cluster. The GPU-enhanced DE was used to optimize the aerodynamics of a supersonic compressor cascade, achieving an aerodynamic loss minimization of 20%.

Aerodynamic optimization of supersonic compressor cascade using differential evolution on GPU

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aissa, Mohamed Hasanine; Verstraete, Tom; Vuik, Cornelis

Differential Evolution (DE) is a powerful stochastic optimization method. Compared to gradient-based algorithms, DE is able to avoid local minima but requires at the same time more function evaluations. In turbomachinery applications, function evaluations are performed with time-consuming CFD simulation, which results in a long, non affordable, design cycle. Modern High Performance Computing systems, especially Graphic Processing Units (GPUs), are able to alleviate this inconvenience by accelerating the design evaluation itself. In this work we present a validated CFD Solver running on GPUs, able to accelerate the design evaluation and thus the entire design process. An achieved speedup of 20xmore » to 30x enabled the DE algorithm to run on a high-end computer instead of a costly large cluster. The GPU-enhanced DE was used to optimize the aerodynamics of a supersonic compressor cascade, achieving an aerodynamic loss minimization of 20%.« less

GPU-accelerated automatic identification of robust beam setups for proton and carbon-ion radiotherapy

NASA Astrophysics Data System (ADS)

Ammazzalorso, F.; Bednarz, T.; Jelen, U.

2014-03-01

We demonstrate acceleration on graphic processing units (GPU) of automatic identification of robust particle therapy beam setups, minimizing negative dosimetric effects of Bragg peak displacement caused by treatment-time patient positioning errors. Our particle therapy research toolkit, RobuR, was extended with OpenCL support and used to implement calculation on GPU of the Port Homogeneity Index, a metric scoring irradiation port robustness through analysis of tissue density patterns prior to dose optimization and computation. Results were benchmarked against an independent native CPU implementation. Numerical results were in agreement between the GPU implementation and native CPU implementation. For 10 skull base cases, the GPU-accelerated implementation was employed to select beam setups for proton and carbon ion treatment plans, which proved to be dosimetrically robust, when recomputed in presence of various simulated positioning errors. From the point of view of performance, average running time on the GPU decreased by at least one order of magnitude compared to the CPU, rendering the GPU-accelerated analysis a feasible step in a clinical treatment planning interactive session. In conclusion, selection of robust particle therapy beam setups can be effectively accelerated on a GPU and become an unintrusive part of the particle therapy treatment planning workflow. Additionally, the speed gain opens new usage scenarios, like interactive analysis manipulation (e.g. constraining of some setup) and re-execution. Finally, through OpenCL portable parallelism, the new implementation is suitable also for CPU-only use, taking advantage of multiple cores, and can potentially exploit types of accelerators other than GPUs.

Efficient implementation of the 3D-DDA ray traversal algorithm on GPU and its application in radiation dose calculation.

PubMed

Xiao, Kai; Chen, Danny Z; Hu, X Sharon; Zhou, Bo

2012-12-01

The three-dimensional digital differential analyzer (3D-DDA) algorithm is a widely used ray traversal method, which is also at the core of many convolution∕superposition (C∕S) dose calculation approaches. However, porting existing C∕S dose calculation methods onto graphics processing unit (GPU) has brought challenges to retaining the efficiency of this algorithm. In particular, straightforward implementation of the original 3D-DDA algorithm inflicts a lot of branch divergence which conflicts with the GPU programming model and leads to suboptimal performance. In this paper, an efficient GPU implementation of the 3D-DDA algorithm is proposed, which effectively reduces such branch divergence and improves performance of the C∕S dose calculation programs running on GPU. The main idea of the proposed method is to convert a number of conditional statements in the original 3D-DDA algorithm into a set of simple operations (e.g., arithmetic, comparison, and logic) which are better supported by the GPU architecture. To verify and demonstrate the performance improvement, this ray traversal method was integrated into a GPU-based collapsed cone convolution∕superposition (CCCS) dose calculation program. The proposed method has been tested using a water phantom and various clinical cases on an NVIDIA GTX570 GPU. The CCCS dose calculation program based on the efficient 3D-DDA ray traversal implementation runs 1.42 ∼ 2.67× faster than the one based on the original 3D-DDA implementation, without losing any accuracy. The results show that the proposed method can effectively reduce branch divergence in the original 3D-DDA ray traversal algorithm and improve the performance of the CCCS program running on GPU. Considering the wide utilization of the 3D-DDA algorithm, various applications can benefit from this implementation method.

Accelerating epistasis analysis in human genetics with consumer graphics hardware.

PubMed

Sinnott-Armstrong, Nicholas A; Greene, Casey S; Cancare, Fabio; Moore, Jason H

2009-07-24

Human geneticists are now capable of measuring more than one million DNA sequence variations from across the human genome. The new challenge is to develop computationally feasible methods capable of analyzing these data for associations with common human disease, particularly in the context of epistasis. Epistasis describes the situation where multiple genes interact in a complex non-linear manner to determine an individual's disease risk and is thought to be ubiquitous for common diseases. Multifactor Dimensionality Reduction (MDR) is an algorithm capable of detecting epistasis. An exhaustive analysis with MDR is often computationally expensive, particularly for high order interactions. This challenge has previously been met with parallel computation and expensive hardware. The option we examine here exploits commodity hardware designed for computer graphics. In modern computers Graphics Processing Units (GPUs) have more memory bandwidth and computational capability than Central Processing Units (CPUs) and are well suited to this problem. Advances in the video game industry have led to an economy of scale creating a situation where these powerful components are readily available at very low cost. Here we implement and evaluate the performance of the MDR algorithm on GPUs. Of primary interest are the time required for an epistasis analysis and the price to performance ratio of available solutions. We found that using MDR on GPUs consistently increased performance per machine over both a feature rich Java software package and a C++ cluster implementation. The performance of a GPU workstation running a GPU implementation reduces computation time by a factor of 160 compared to an 8-core workstation running the Java implementation on CPUs. This GPU workstation performs similarly to 150 cores running an optimized C++ implementation on a Beowulf cluster. Furthermore this GPU system provides extremely cost effective performance while leaving the CPU available for other tasks. The GPU workstation containing three GPUs costs $2000 while obtaining similar performance on a Beowulf cluster requires 150 CPU cores which, including the added infrastructure and support cost of the cluster system, cost approximately $82,500. Graphics hardware based computing provides a cost effective means to perform genetic analysis of epistasis using MDR on large datasets without the infrastructure of a computing cluster.

GPULife

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelly, Priscilla N.

2016-08-12

The code runs the Game of Life among several processors. Each processor uses CUDA to set up the grid's buffer on the GPU, and that buffer is fed to other GPU languages to apply the rules of the game of life. Only the halo is copied off the buffer and exchanged using MPI. This code looks at the interoperability of GPU languages among current platforms.

High Performance GPU-Based Fourier Volume Rendering.

PubMed

Abdellah, Marwan; Eldeib, Ayman; Sharawi, Amr

2015-01-01

Fourier volume rendering (FVR) is a significant visualization technique that has been used widely in digital radiography. As a result of its (N (2)log⁡N) time complexity, it provides a faster alternative to spatial domain volume rendering algorithms that are (N (3)) computationally complex. Relying on the Fourier projection-slice theorem, this technique operates on the spectral representation of a 3D volume instead of processing its spatial representation to generate attenuation-only projections that look like X-ray radiographs. Due to the rapid evolution of its underlying architecture, the graphics processing unit (GPU) became an attractive competent platform that can deliver giant computational raw power compared to the central processing unit (CPU) on a per-dollar-basis. The introduction of the compute unified device architecture (CUDA) technology enables embarrassingly-parallel algorithms to run efficiently on CUDA-capable GPU architectures. In this work, a high performance GPU-accelerated implementation of the FVR pipeline on CUDA-enabled GPUs is presented. This proposed implementation can achieve a speed-up of 117x compared to a single-threaded hybrid implementation that uses the CPU and GPU together by taking advantage of executing the rendering pipeline entirely on recent GPU architectures.

Online Tracking Algorithms on GPUs for the P̅ANDA Experiment at FAIR

NASA Astrophysics Data System (ADS)

Bianchi, L.; Herten, A.; Ritman, J.; Stockmanns, T.; Adinetz, A.; Kraus, J.; Pleiter, D.

2015-12-01

P̅ANDA is a future hadron and nuclear physics experiment at the FAIR facility in construction in Darmstadt, Germany. In contrast to the majority of current experiments, PANDA's strategy for data acquisition is based on event reconstruction from free-streaming data, performed in real time entirely by software algorithms using global detector information. This paper reports the status of the development of algorithms for the reconstruction of charged particle tracks, optimized online data processing applications, using General-Purpose Graphic Processing Units (GPU). Two algorithms for trackfinding, the Triplet Finder and the Circle Hough, are described, and details of their GPU implementations are highlighted. Average track reconstruction times of less than 100 ns are obtained running the Triplet Finder on state-of- the-art GPU cards. In addition, a proof-of-concept system for the dispatch of data to tracking algorithms using Message Queues is presented.

Performance Analysis of GFDL's GCM Line-By-Line Radiative Transfer Model on GPU and MIC Architectures

NASA Astrophysics Data System (ADS)

Menzel, R.; Paynter, D.; Jones, A. L.

2017-12-01

Due to their relatively low computational cost, radiative transfer models in global climate models (GCMs) run on traditional CPU architectures generally consist of shortwave and longwave parameterizations over a small number of wavelength bands. With the rise of newer GPU and MIC architectures, however, the performance of high resolution line-by-line radiative transfer models may soon approach those of the physical parameterizations currently employed in GCMs. Here we present an analysis of the current performance of a new line-by-line radiative transfer model currently under development at GFDL. Although originally designed to specifically exploit GPU architectures through the use of CUDA, the radiative transfer model has recently been extended to include OpenMP in an effort to also effectively target MIC architectures such as Intel's Xeon Phi. Using input data provided by the upcoming Radiative Forcing Model Intercomparison Project (RFMIP, as part of CMIP 6), we compare model results and performance data for various model configurations and spectral resolutions run on both GPU and Intel Knights Landing architectures to analogous runs of the standard Oxford Reference Forward Model on traditional CPUs.

GPU-Accelerated Voxelwise Hepatic Perfusion Quantification

PubMed Central

Wang, H; Cao, Y

2012-01-01

Voxelwise quantification of hepatic perfusion parameters from dynamic contrast enhanced (DCE) imaging greatly contributes to assessment of liver function in response to radiation therapy. However, the efficiency of the estimation of hepatic perfusion parameters voxel-by-voxel in the whole liver using a dual-input single-compartment model requires substantial improvement for routine clinical applications. In this paper, we utilize the parallel computation power of a graphics processing unit (GPU) to accelerate the computation, while maintaining the same accuracy as the conventional method. Using CUDA-GPU, the hepatic perfusion computations over multiple voxels are run across the GPU blocks concurrently but independently. At each voxel, non-linear least squares fitting the time series of the liver DCE data to the compartmental model is distributed to multiple threads in a block, and the computations of different time points are performed simultaneously and synchronically. An efficient fast Fourier transform in a block is also developed for the convolution computation in the model. The GPU computations of the voxel-by-voxel hepatic perfusion images are compared with ones by the CPU using the simulated DCE data and the experimental DCE MR images from patients. The computation speed is improved by 30 times using a NVIDIA Tesla C2050 GPU compared to a 2.67 GHz Intel Xeon CPU processor. To obtain liver perfusion maps with 626400 voxels in a patient’s liver, it takes 0.9 min with the GPU-accelerated voxelwise computation, compared to 110 min with the CPU, while both methods result in perfusion parameters differences less than 10−6. The method will be useful for generating liver perfusion images in clinical settings. PMID:22892645

permGPU: Using graphics processing units in RNA microarray association studies.

PubMed

Shterev, Ivo D; Jung, Sin-Ho; George, Stephen L; Owzar, Kouros

2010-06-16

Many analyses of microarray association studies involve permutation, bootstrap resampling and cross-validation, that are ideally formulated as embarrassingly parallel computing problems. Given that these analyses are computationally intensive, scalable approaches that can take advantage of multi-core processor systems need to be developed. We have developed a CUDA based implementation, permGPU, that employs graphics processing units in microarray association studies. We illustrate the performance and applicability of permGPU within the context of permutation resampling for a number of test statistics. An extensive simulation study demonstrates a dramatic increase in performance when using permGPU on an NVIDIA GTX 280 card compared to an optimized C/C++ solution running on a conventional Linux server. permGPU is available as an open-source stand-alone application and as an extension package for the R statistical environment. It provides a dramatic increase in performance for permutation resampling analysis in the context of microarray association studies. The current version offers six test statistics for carrying out permutation resampling analyses for binary, quantitative and censored time-to-event traits.

Acceleration of discrete stochastic biochemical simulation using GPGPU.

PubMed

Sumiyoshi, Kei; Hirata, Kazuki; Hiroi, Noriko; Funahashi, Akira

2015-01-01

For systems made up of a small number of molecules, such as a biochemical network in a single cell, a simulation requires a stochastic approach, instead of a deterministic approach. The stochastic simulation algorithm (SSA) simulates the stochastic behavior of a spatially homogeneous system. Since stochastic approaches produce different results each time they are used, multiple runs are required in order to obtain statistical results; this results in a large computational cost. We have implemented a parallel method for using SSA to simulate a stochastic model; the method uses a graphics processing unit (GPU), which enables multiple realizations at the same time, and thus reduces the computational time and cost. During the simulation, for the purpose of analysis, each time course is recorded at each time step. A straightforward implementation of this method on a GPU is about 16 times faster than a sequential simulation on a CPU with hybrid parallelization; each of the multiple simulations is run simultaneously, and the computational tasks within each simulation are parallelized. We also implemented an improvement to the memory access and reduced the memory footprint, in order to optimize the computations on the GPU. We also implemented an asynchronous data transfer scheme to accelerate the time course recording function. To analyze the acceleration of our implementation on various sizes of model, we performed SSA simulations on different model sizes and compared these computation times to those for sequential simulations with a CPU. When used with the improved time course recording function, our method was shown to accelerate the SSA simulation by a factor of up to 130.

Acceleration of discrete stochastic biochemical simulation using GPGPU

PubMed Central

Sumiyoshi, Kei; Hirata, Kazuki; Hiroi, Noriko; Funahashi, Akira

2015-01-01

For systems made up of a small number of molecules, such as a biochemical network in a single cell, a simulation requires a stochastic approach, instead of a deterministic approach. The stochastic simulation algorithm (SSA) simulates the stochastic behavior of a spatially homogeneous system. Since stochastic approaches produce different results each time they are used, multiple runs are required in order to obtain statistical results; this results in a large computational cost. We have implemented a parallel method for using SSA to simulate a stochastic model; the method uses a graphics processing unit (GPU), which enables multiple realizations at the same time, and thus reduces the computational time and cost. During the simulation, for the purpose of analysis, each time course is recorded at each time step. A straightforward implementation of this method on a GPU is about 16 times faster than a sequential simulation on a CPU with hybrid parallelization; each of the multiple simulations is run simultaneously, and the computational tasks within each simulation are parallelized. We also implemented an improvement to the memory access and reduced the memory footprint, in order to optimize the computations on the GPU. We also implemented an asynchronous data transfer scheme to accelerate the time course recording function. To analyze the acceleration of our implementation on various sizes of model, we performed SSA simulations on different model sizes and compared these computation times to those for sequential simulations with a CPU. When used with the improved time course recording function, our method was shown to accelerate the SSA simulation by a factor of up to 130. PMID:25762936

EvoGraph: On-The-Fly Efficient Mining of Evolving Graphs on GPU

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sengupta, Dipanjan; Song, Shuaiwen

With the prevalence of the World Wide Web and social networks, there has been a growing interest in high performance analytics for constantly-evolving dynamic graphs. Modern GPUs provide massive AQ1 amount of parallelism for efficient graph processing, but the challenges remain due to their lack of support for the near real-time streaming nature of dynamic graphs. Specifically, due to the current high volume and velocity of graph data combined with the complexity of user queries, traditional processing methods by first storing the updates and then repeatedly running static graph analytics on a sequence of versions or snapshots are deemed undesirablemore » and computational infeasible on GPU. We present EvoGraph, a highly efficient and scalable GPU- based dynamic graph analytics framework.« less

Heterogeneous computing architecture for fast detection of SNP-SNP interactions.

PubMed

Sluga, Davor; Curk, Tomaz; Zupan, Blaz; Lotric, Uros

2014-06-25

The extent of data in a typical genome-wide association study (GWAS) poses considerable computational challenges to software tools for gene-gene interaction discovery. Exhaustive evaluation of all interactions among hundreds of thousands to millions of single nucleotide polymorphisms (SNPs) may require weeks or even months of computation. Massively parallel hardware within a modern Graphic Processing Unit (GPU) and Many Integrated Core (MIC) coprocessors can shorten the run time considerably. While the utility of GPU-based implementations in bioinformatics has been well studied, MIC architecture has been introduced only recently and may provide a number of comparative advantages that have yet to be explored and tested. We have developed a heterogeneous, GPU and Intel MIC-accelerated software module for SNP-SNP interaction discovery to replace the previously single-threaded computational core in the interactive web-based data exploration program SNPsyn. We report on differences between these two modern massively parallel architectures and their software environments. Their utility resulted in an order of magnitude shorter execution times when compared to the single-threaded CPU implementation. GPU implementation on a single Nvidia Tesla K20 runs twice as fast as that for the MIC architecture-based Xeon Phi P5110 coprocessor, but also requires considerably more programming effort. General purpose GPUs are a mature platform with large amounts of computing power capable of tackling inherently parallel problems, but can prove demanding for the programmer. On the other hand the new MIC architecture, albeit lacking in performance reduces the programming effort and makes it up with a more general architecture suitable for a wider range of problems.

Heterogeneous computing architecture for fast detection of SNP-SNP interactions

PubMed Central

2014-01-01

Background The extent of data in a typical genome-wide association study (GWAS) poses considerable computational challenges to software tools for gene-gene interaction discovery. Exhaustive evaluation of all interactions among hundreds of thousands to millions of single nucleotide polymorphisms (SNPs) may require weeks or even months of computation. Massively parallel hardware within a modern Graphic Processing Unit (GPU) and Many Integrated Core (MIC) coprocessors can shorten the run time considerably. While the utility of GPU-based implementations in bioinformatics has been well studied, MIC architecture has been introduced only recently and may provide a number of comparative advantages that have yet to be explored and tested. Results We have developed a heterogeneous, GPU and Intel MIC-accelerated software module for SNP-SNP interaction discovery to replace the previously single-threaded computational core in the interactive web-based data exploration program SNPsyn. We report on differences between these two modern massively parallel architectures and their software environments. Their utility resulted in an order of magnitude shorter execution times when compared to the single-threaded CPU implementation. GPU implementation on a single Nvidia Tesla K20 runs twice as fast as that for the MIC architecture-based Xeon Phi P5110 coprocessor, but also requires considerably more programming effort. Conclusions General purpose GPUs are a mature platform with large amounts of computing power capable of tackling inherently parallel problems, but can prove demanding for the programmer. On the other hand the new MIC architecture, albeit lacking in performance reduces the programming effort and makes it up with a more general architecture suitable for a wider range of problems. PMID:24964802

GPU computing of compressible flow problems by a meshless method with space-filling curves

NASA Astrophysics Data System (ADS)

Ma, Z. H.; Wang, H.; Pu, S. H.

2014-04-01

A graphic processing unit (GPU) implementation of a meshless method for solving compressible flow problems is presented in this paper. Least-square fit is used to discretize the spatial derivatives of Euler equations and an upwind scheme is applied to estimate the flux terms. The compute unified device architecture (CUDA) C programming model is employed to efficiently and flexibly port the meshless solver from CPU to GPU. Considering the data locality of randomly distributed points, space-filling curves are adopted to re-number the points in order to improve the memory performance. Detailed evaluations are firstly carried out to assess the accuracy and conservation property of the underlying numerical method. Then the GPU accelerated flow solver is used to solve external steady flows over aerodynamic configurations. Representative results are validated through extensive comparisons with the experimental, finite volume or other available reference solutions. Performance analysis reveals that the running time cost of simulations is significantly reduced while impressive (more than an order of magnitude) speedups are achieved.

Fast, Accurate and Shift-Varying Line Projections for Iterative Reconstruction Using the GPU

PubMed Central

Pratx, Guillem; Chinn, Garry; Olcott, Peter D.; Levin, Craig S.

2013-01-01

List-mode processing provides an efficient way to deal with sparse projections in iterative image reconstruction for emission tomography. An issue often reported is the tremendous amount of computation required by such algorithm. Each recorded event requires several back- and forward line projections. We investigated the use of the programmable graphics processing unit (GPU) to accelerate the line-projection operations and implement fully-3D list-mode ordered-subsets expectation-maximization for positron emission tomography (PET). We designed a reconstruction approach that incorporates resolution kernels, which model the spatially-varying physical processes associated with photon emission, transport and detection. Our development is particularly suitable for applications where the projection data is sparse, such as high-resolution, dynamic, and time-of-flight PET reconstruction. The GPU approach runs more than 50 times faster than an equivalent CPU implementation while image quality and accuracy are virtually identical. This paper describes in details how the GPU can be used to accelerate the line projection operations, even when the lines-of-response have arbitrary endpoint locations and shift-varying resolution kernels are used. A quantitative evaluation is included to validate the correctness of this new approach. PMID:19244015

GPU Lossless Hyperspectral Data Compression System for Space Applications

NASA Technical Reports Server (NTRS)

Keymeulen, Didier; Aranki, Nazeeh; Hopson, Ben; Kiely, Aaron; Klimesh, Matthew; Benkrid, Khaled

2012-01-01

On-board lossless hyperspectral data compression reduces data volume in order to meet NASA and DoD limited downlink capabilities. At JPL, a novel, adaptive and predictive technique for lossless compression of hyperspectral data, named the Fast Lossless (FL) algorithm, was recently developed. This technique uses an adaptive filtering method and achieves state-of-the-art performance in both compression effectiveness and low complexity. Because of its outstanding performance and suitability for real-time onboard hardware implementation, the FL compressor is being formalized as the emerging CCSDS Standard for Lossless Multispectral & Hyperspectral image compression. The FL compressor is well-suited for parallel hardware implementation. A GPU hardware implementation was developed for FL targeting the current state-of-the-art GPUs from NVIDIA(Trademark). The GPU implementation on a NVIDIA(Trademark) GeForce(Trademark) GTX 580 achieves a throughput performance of 583.08 Mbits/sec (44.85 MSamples/sec) and an acceleration of at least 6 times a software implementation running on a 3.47 GHz single core Intel(Trademark) Xeon(Trademark) processor. This paper describes the design and implementation of the FL algorithm on the GPU. The massively parallel implementation will provide in the future a fast and practical real-time solution for airborne and space applications.

Supermassive Black Hole Binaries in High Performance Massively Parallel Direct N-body Simulations on Large GPU Clusters

NASA Astrophysics Data System (ADS)

Spurzem, R.; Berczik, P.; Zhong, S.; Nitadori, K.; Hamada, T.; Berentzen, I.; Veles, A.

2012-07-01

Astrophysical Computer Simulations of Dense Star Clusters in Galactic Nuclei with Supermassive Black Holes are presented using new cost-efficient supercomputers in China accelerated by graphical processing cards (GPU). We use large high-accuracy direct N-body simulations with Hermite scheme and block-time steps, parallelised across a large number of nodes on the large scale and across many GPU thread processors on each node on the small scale. A sustained performance of more than 350 Tflop/s for a science run on using simultaneously 1600 Fermi C2050 GPUs is reached; a detailed performance model is presented and studies for the largest GPU clusters in China with up to Petaflop/s performance and 7000 Fermi GPU cards. In our case study we look at two supermassive black holes with equal and unequal masses embedded in a dense stellar cluster in a galactic nucleus. The hardening processes due to interactions between black holes and stars, effects of rotation in the stellar system and relativistic forces between the black holes are simultaneously taken into account. The simulation stops at the complete relativistic merger of the black holes.

Testing and Validating Gadget2 for GPUs

NASA Astrophysics Data System (ADS)

Wibking, Benjamin; Holley-Bockelmann, K.; Berlind, A. A.

2013-01-01

We are currently upgrading a version of Gadget2 (Springel et al., 2005) that is optimized for NVIDIA's CUDA GPU architecture (Frigaard, unpublished) to work with the latest libraries and graphics cards. Preliminary tests of its performance indicate a ~40x speedup in the particle force tree approximation calculation, with overall speedup of 5-10x for cosmological simulations run with GPUs compared to running on the same CPU cores without GPU acceleration. We believe this speedup can be reasonably increased by an additional factor of two with futher optimization, including overlap of computation on CPU and GPU. Tests of single-precision GPU numerical fidelity currently indicate accuracy of the mass function and the spectral power density to within a few percent of extended-precision CPU results with the unmodified form of Gadget. Additionally, we plan to test and optimize the GPU code for Millenium-scale "grand challenge" simulations of >10^9 particles, a scale that has been previously untested with this code, with the aid of the NSF XSEDE flagship GPU-based supercomputing cluster codenamed "Keeneland." Current work involves additional validation of numerical results, extending the numerical precision of the GPU calculations to double precision, and evaluating performance/accuracy tradeoffs. We believe that this project, if successful, will yield substantial computational performance benefits to the N-body research community as the next generation of GPU supercomputing resources becomes available, both increasing the electrical power efficiency of ever-larger computations (making simulations possible a decade from now at scales and resolutions unavailable today) and accelerating the pace of research in the field.

Fast 2D flood modelling using GPU technology - recent applications and new developments

NASA Astrophysics Data System (ADS)

Crossley, Amanda; Lamb, Rob; Waller, Simon; Dunning, Paul

2010-05-01

In recent years there has been considerable interest amongst scientists and engineers in exploiting the potential of commodity graphics hardware for desktop parallel computing. The Graphics Processing Units (GPUs) that are used in PC graphics cards have now evolved into powerful parallel co-processors that can be used to accelerate the numerical codes used for floodplain inundation modelling. We report in this paper on experience over the past two years in developing and applying two dimensional (2D) flood inundation models using GPUs to achieve significant practical performance benefits. Starting with a solution scheme for the 2D diffusion wave approximation to the 2D Shallow Water Equations (SWEs), we have demonstrated the capability to reduce model run times in ‘real-world' applications using GPU hardware and programming techniques. We then present results from a GPU-based 2D finite volume SWE solver. A series of numerical test cases demonstrate that the model produces outputs that are accurate and consistent with reference results published elsewhere. In comparisons conducted for a real world test case, the GPU-based SWE model was over 100 times faster than the CPU version. We conclude with some discussion of practical experience in using the GPU technology for flood mapping applications, and for research projects investigating use of Monte Carlo simulation methods for the analysis of uncertainty in 2D flood modelling.

MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU system

PubMed Central

Ruymgaart, A. Peter; Cardenas, Alfredo E.; Elber, Ron

2011-01-01

We report an optimized version of the molecular dynamics program MOIL that runs on a shared memory system with OpenMP and exploits the power of a Graphics Processing Unit (GPU). The model is of heterogeneous computing system on a single node with several cores sharing the same memory and a GPU. This is a typical laboratory tool, which provides excellent performance at minimal cost. Besides performance, emphasis is made on accuracy and stability of the algorithm probed by energy conservation for explicit-solvent atomically-detailed-models. Especially for long simulations energy conservation is critical due to the phenomenon known as “energy drift” in which energy errors accumulate linearly as a function of simulation time. To achieve long time dynamics with acceptable accuracy the drift must be particularly small. We identify several means of controlling long-time numerical accuracy while maintaining excellent speedup. To maintain a high level of energy conservation SHAKE and the Ewald reciprocal summation are run in double precision. Double precision summation of real-space non-bonded interactions improves energy conservation. In our best option, the energy drift using 1fs for a time step while constraining the distances of all bonds, is undetectable in 10ns simulation of solvated DHFR (Dihydrofolate reductase). Faster options, shaking only bonds with hydrogen atoms, are also very well behaved and have drifts of less than 1kcal/mol per nanosecond of the same system. CPU/GPU implementations require changes in programming models. We consider the use of a list of neighbors and quadratic versus linear interpolation in lookup tables of different sizes. Quadratic interpolation with a smaller number of grid points is faster than linear lookup tables (with finer representation) without loss of accuracy. Atomic neighbor lists were found most efficient. Typical speedups are about a factor of 10 compared to a single-core single-precision code. PMID:22328867

Fast Simulation of Dynamic Ultrasound Images Using the GPU.

PubMed

Storve, Sigurd; Torp, Hans

2017-10-01

Simulated ultrasound data is a valuable tool for development and validation of quantitative image analysis methods in echocardiography. Unfortunately, simulation time can become prohibitive for phantoms consisting of a large number of point scatterers. The COLE algorithm by Gao et al. is a fast convolution-based simulator that trades simulation accuracy for improved speed. We present highly efficient parallelized CPU and GPU implementations of the COLE algorithm with an emphasis on dynamic simulations involving moving point scatterers. We argue that it is crucial to minimize the amount of data transfers from the CPU to achieve good performance on the GPU. We achieve this by storing the complete trajectories of the dynamic point scatterers as spline curves in the GPU memory. This leads to good efficiency when simulating sequences consisting of a large number of frames, such as B-mode and tissue Doppler data for a full cardiac cycle. In addition, we propose a phase-based subsample delay technique that efficiently eliminates flickering artifacts seen in B-mode sequences when COLE is used without enough temporal oversampling. To assess the performance, we used a laptop computer and a desktop computer, each equipped with a multicore Intel CPU and an NVIDIA GPU. Running the simulator on a high-end TITAN X GPU, we observed two orders of magnitude speedup compared to the parallel CPU version, three orders of magnitude speedup compared to simulation times reported by Gao et al. in their paper on COLE, and a speedup of 27000 times compared to the multithreaded version of Field II, using numbers reported in a paper by Jensen. We hope that by releasing the simulator as an open-source project we will encourage its use and further development.

Massively Parallel Signal Processing using the Graphics Processing Unit for Real-Time Brain-Computer Interface Feature Extraction.

PubMed

Wilson, J Adam; Williams, Justin C

2009-01-01

The clock speeds of modern computer processors have nearly plateaued in the past 5 years. Consequently, neural prosthetic systems that rely on processing large quantities of data in a short period of time face a bottleneck, in that it may not be possible to process all of the data recorded from an electrode array with high channel counts and bandwidth, such as electrocorticographic grids or other implantable systems. Therefore, in this study a method of using the processing capabilities of a graphics card [graphics processing unit (GPU)] was developed for real-time neural signal processing of a brain-computer interface (BCI). The NVIDIA CUDA system was used to offload processing to the GPU, which is capable of running many operations in parallel, potentially greatly increasing the speed of existing algorithms. The BCI system records many channels of data, which are processed and translated into a control signal, such as the movement of a computer cursor. This signal processing chain involves computing a matrix-matrix multiplication (i.e., a spatial filter), followed by calculating the power spectral density on every channel using an auto-regressive method, and finally classifying appropriate features for control. In this study, the first two computationally intensive steps were implemented on the GPU, and the speed was compared to both the current implementation and a central processing unit-based implementation that uses multi-threading. Significant performance gains were obtained with GPU processing: the current implementation processed 1000 channels of 250 ms in 933 ms, while the new GPU method took only 27 ms, an improvement of nearly 35 times.

High performance hybrid functional Petri net simulations of biological pathway models on CUDA.

PubMed

Chalkidis, Georgios; Nagasaki, Masao; Miyano, Satoru

2011-01-01

Hybrid functional Petri nets are a wide-spread tool for representing and simulating biological models. Due to their potential of providing virtual drug testing environments, biological simulations have a growing impact on pharmaceutical research. Continuous research advancements in biology and medicine lead to exponentially increasing simulation times, thus raising the demand for performance accelerations by efficient and inexpensive parallel computation solutions. Recent developments in the field of general-purpose computation on graphics processing units (GPGPU) enabled the scientific community to port a variety of compute intensive algorithms onto the graphics processing unit (GPU). This work presents the first scheme for mapping biological hybrid functional Petri net models, which can handle both discrete and continuous entities, onto compute unified device architecture (CUDA) enabled GPUs. GPU accelerated simulations are observed to run up to 18 times faster than sequential implementations. Simulating the cell boundary formation by Delta-Notch signaling on a CUDA enabled GPU results in a speedup of approximately 7x for a model containing 1,600 cells.

Search for Length Dependent Stable Structures of Polyglutamaine Proteins with Replica Exchange Molecular Dynamic

NASA Astrophysics Data System (ADS)

Kluber, Alexander; Hayre, Robert; Cox, Daniel

2012-02-01

Motivated by the need to find beta-structure aggregation nuclei for the polyQ diseases such as Huntington's, we have undertaken a search for length dependent structure in model polyglutamine proteins. We use the Onufriev-Bashford-Case (OBC) generalized Born implicit solvent GPU based AMBER11 molecular dynamics with the parm96 force field coupled with a replica exchange method to characterize monomeric strands of polyglutamine as a function of chain length and temperature. This force field and solvation method has been shown among other methods to accurately reproduce folded metastability in certain small peptides, and to yield accurately de novo folded structures in a millisecond time-scale protein. Using GPU molecular dynamics we can sample out into the microsecond range. Additionally, explicit solvent runs will be used to verify results from the implicit solvent runs. We will assess order using measures of secondary structure and hydrogen bond content.

Fourier-Bessel Particle-In-Cell (FBPIC) v0.1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lehe, Remi; Kirchen, Manuel; Jalas, Soeren

The Fourier-Bessel Particle-In-Cell code is a scientific simulation software for relativistic plasma physics. It is a Particle-In-Cell code whose distinctive feature is to use a spectral decomposition in cylindrical geometry. This decomposition allows to combine the advantages of spectral 3D Cartesian PIC codes (high accuracy and stability) and those of finite-difference cylindrical PIC codes with azimuthal decomposition (orders-of-magnitude speedup when compared to 3D simulations). The code is built on Python and can run both on CPU and GPU (the GPU runs being typically 1 or 2 orders of magnitude faster than the corresponding CPU runs.) The code has the exactmore » same output format as the open-source PIC codes Warp and PIConGPU (openPMD format: openpmd.org) and has a very similar input format as Warp (Python script with many similarities). There is therefore tight interoperability between Warp and FBPIC, and this interoperability will increase even more in the future.« less

Rapid Parallel Calculation of shell Element Based On GPU

NASA Astrophysics Data System (ADS)

Wanga, Jian Hua; Lia, Guang Yao; Lib, Sheng; Li, Guang Yao

2010-06-01

Long computing time bottlenecked the application of finite element. In this paper, an effective method to speed up the FEM calculation by using the existing modern graphic processing unit and programmable colored rendering tool was put forward, which devised the representation of unit information in accordance with the features of GPU, converted all the unit calculation into film rendering process, solved the simulation work of all the unit calculation of the internal force, and overcame the shortcomings of lowly parallel level appeared ever before when it run in a single computer. Studies shown that this method could improve efficiency and shorten calculating hours greatly. The results of emulation calculation about the elasticity problem of large number cells in the sheet metal proved that using the GPU parallel simulation calculation was faster than using the CPU's. It is useful and efficient to solve the project problems in this way.

Multi-GPU Acceleration of Branchless Distance Driven Projection and Backprojection for Clinical Helical CT.

PubMed

Mitra, Ayan; Politte, David G; Whiting, Bruce R; Williamson, Jeffrey F; O'Sullivan, Joseph A

2017-01-01

Model-based image reconstruction (MBIR) techniques have the potential to generate high quality images from noisy measurements and a small number of projections which can reduce the x-ray dose in patients. These MBIR techniques rely on projection and backprojection to refine an image estimate. One of the widely used projectors for these modern MBIR based technique is called branchless distance driven (DD) projection and backprojection. While this method produces superior quality images, the computational cost of iterative updates keeps it from being ubiquitous in clinical applications. In this paper, we provide several new parallelization ideas for concurrent execution of the DD projectors in multi-GPU systems using CUDA programming tools. We have introduced some novel schemes for dividing the projection data and image voxels over multiple GPUs to avoid runtime overhead and inter-device synchronization issues. We have also reduced the complexity of overlap calculation of the algorithm by eliminating the common projection plane and directly projecting the detector boundaries onto image voxel boundaries. To reduce the time required for calculating the overlap between the detector edges and image voxel boundaries, we have proposed a pre-accumulation technique to accumulate image intensities in perpendicular 2D image slabs (from a 3D image) before projection and after backprojection to ensure our DD kernels run faster in parallel GPU threads. For the implementation of our iterative MBIR technique we use a parallel multi-GPU version of the alternating minimization (AM) algorithm with penalized likelihood update. The time performance using our proposed reconstruction method with Siemens Sensation 16 patient scan data shows an average of 24 times speedup using a single TITAN X GPU and 74 times speedup using 3 TITAN X GPUs in parallel for combined projection and backprojection.

Revisiting Molecular Dynamics on a CPU/GPU system: Water Kernel and SHAKE Parallelization.

PubMed

Ruymgaart, A Peter; Elber, Ron

2012-11-13

We report Graphics Processing Unit (GPU) and Open-MP parallel implementations of water-specific force calculations and of bond constraints for use in Molecular Dynamics simulations. We focus on a typical laboratory computing-environment in which a CPU with a few cores is attached to a GPU. We discuss in detail the design of the code and we illustrate performance comparable to highly optimized codes such as GROMACS. Beside speed our code shows excellent energy conservation. Utilization of water-specific lists allows the efficient calculations of non-bonded interactions that include water molecules and results in a speed-up factor of more than 40 on the GPU compared to code optimized on a single CPU core for systems larger than 20,000 atoms. This is up four-fold from a factor of 10 reported in our initial GPU implementation that did not include a water-specific code. Another optimization is the implementation of constrained dynamics entirely on the GPU. The routine, which enforces constraints of all bonds, runs in parallel on multiple Open-MP cores or entirely on the GPU. It is based on Conjugate Gradient solution of the Lagrange multipliers (CG SHAKE). The GPU implementation is partially in double precision and requires no communication with the CPU during the execution of the SHAKE algorithm. The (parallel) implementation of SHAKE allows an increase of the time step to 2.0fs while maintaining excellent energy conservation. Interestingly, CG SHAKE is faster than the usual bond relaxation algorithm even on a single core if high accuracy is expected. The significant speedup of the optimized components transfers the computational bottleneck of the MD calculation to the reciprocal part of Particle Mesh Ewald (PME).

SW#db: GPU-Accelerated Exact Sequence Similarity Database Search.

PubMed

Korpar, Matija; Šošić, Martin; Blažeka, Dino; Šikić, Mile

2015-01-01

In recent years we have witnessed a growth in sequencing yield, the number of samples sequenced, and as a result-the growth of publicly maintained sequence databases. The increase of data present all around has put high requirements on protein similarity search algorithms with two ever-opposite goals: how to keep the running times acceptable while maintaining a high-enough level of sensitivity. The most time consuming step of similarity search are the local alignments between query and database sequences. This step is usually performed using exact local alignment algorithms such as Smith-Waterman. Due to its quadratic time complexity, alignments of a query to the whole database are usually too slow. Therefore, the majority of the protein similarity search methods prior to doing the exact local alignment apply heuristics to reduce the number of possible candidate sequences in the database. However, there is still a need for the alignment of a query sequence to a reduced database. In this paper we present the SW#db tool and a library for fast exact similarity search. Although its running times, as a standalone tool, are comparable to the running times of BLAST, it is primarily intended to be used for exact local alignment phase in which the database of sequences has already been reduced. It uses both GPU and CPU parallelization and was 4-5 times faster than SSEARCH, 6-25 times faster than CUDASW++ and more than 20 times faster than SSW at the time of writing, using multiple queries on Swiss-prot and Uniref90 databases.

cuBLASTP: Fine-Grained Parallelization of Protein Sequence Search on CPU+GPU.

PubMed

Zhang, Jing; Wang, Hao; Feng, Wu-Chun

2017-01-01

BLAST, short for Basic Local Alignment Search Tool, is a ubiquitous tool used in the life sciences for pairwise sequence search. However, with the advent of next-generation sequencing (NGS), whether at the outset or downstream from NGS, the exponential growth of sequence databases is outstripping our ability to analyze the data. While recent studies have utilized the graphics processing unit (GPU) to speedup the BLAST algorithm for searching protein sequences (i.e., BLASTP), these studies use coarse-grained parallelism, where one sequence alignment is mapped to only one thread. Such an approach does not efficiently utilize the capabilities of a GPU, particularly due to the irregularity of BLASTP in both execution paths and memory-access patterns. To address the above shortcomings, we present a fine-grained approach to parallelize BLASTP, where each individual phase of sequence search is mapped to many threads on a GPU. This approach, which we refer to as cuBLASTP, reorders data-access patterns and reduces divergent branches of the most time-consuming phases (i.e., hit detection and ungapped extension). In addition, cuBLASTP optimizes the remaining phases (i.e., gapped extension and alignment with trace back) on a multicore CPU and overlaps their execution with the phases running on the GPU.

Adaptive mesh fluid simulations on GPU

NASA Astrophysics Data System (ADS)

Wang, Peng; Abel, Tom; Kaehler, Ralf

2010-10-01

We describe an implementation of compressible inviscid fluid solvers with block-structured adaptive mesh refinement on Graphics Processing Units using NVIDIA's CUDA. We show that a class of high resolution shock capturing schemes can be mapped naturally on this architecture. Using the method of lines approach with the second order total variation diminishing Runge-Kutta time integration scheme, piecewise linear reconstruction, and a Harten-Lax-van Leer Riemann solver, we achieve an overall speedup of approximately 10 times faster execution on one graphics card as compared to a single core on the host computer. We attain this speedup in uniform grid runs as well as in problems with deep AMR hierarchies. Our framework can readily be applied to more general systems of conservation laws and extended to higher order shock capturing schemes. This is shown directly by an implementation of a magneto-hydrodynamic solver and comparing its performance to the pure hydrodynamic case. Finally, we also combined our CUDA parallel scheme with MPI to make the code run on GPU clusters. Close to ideal speedup is observed on up to four GPUs.

Comparison and Computational Performance of Tsunami-HySEA and MOST Models for the LANTEX 2013 scenario

NASA Astrophysics Data System (ADS)

González-Vida, Jose M.; Macías, Jorge; Mercado, Aurelio; Ortega, Sergio; Castro, Manuel J.

2017-04-01

Tsunami-HySEA model is used to simulate the Caribbean LANTEX 2013 scenario (LANTEX is the acronym for Large AtlaNtic Tsunami EXercise, which is carried out annually). The numerical simulation of the propagation and inundation phases, is performed with both models but using different mesh resolutions and nested meshes. Some comparisons with the MOST tsunami model available at the University of Puerto Rico (UPR) are made. Both models compare well for propagating tsunami waves in open sea, producing very similar results. In near-shore shallow waters, Tsunami-HySEA should be compared with the inundation version of MOST, since the propagation version of MOST is limited to deeper waters. Regarding the inundation phase, a 1 arc-sec (approximately 30 m) resolution mesh covering all of Puerto Rico, is used, and a three-level nested meshes technique implemented. In the inundation phase, larger differences between model results are observed. Nevertheless, the most striking difference resides in computational time; Tsunami-HySEA is coded using the advantages of GPU architecture, and can produce a 4 h simulation in a 60 arcsec resolution grid for the whole Caribbean Sea in less than 4 min with a single general-purpose GPU and as fast as 11 s with 32 general-purpose GPUs. In the inundation stage with nested meshes, approximately 8 hours of wall clock time is needed for a 2-h simulation in a single GPU (versus more than 2 days for the MOST inundation, running three different parts of the island—West, Center, East—at the same time due to memory limitations in MOST). When domain decomposition techniques are finally implemented by breaking up the computational domain into sub-domains and assigning a GPU to each sub-domain (multi-GPU Tsunami-HySEA version), we show that the wall clock time significantly decreases, allowing high-resolution inundation modelling in very short computational times, reducing, for example, if eight GPUs are used, the wall clock time to around 1 hour. Besides, these computational times are obtained using general-purpose GPU hardware.

Fast, multi-channel real-time processing of signals with microsecond latency using graphics processing units.

PubMed

Rath, N; Kato, S; Levesque, J P; Mauel, M E; Navratil, G A; Peng, Q

2014-04-01

Fast, digital signal processing (DSP) has many applications. Typical hardware options for performing DSP are field-programmable gate arrays (FPGAs), application-specific integrated DSP chips, or general purpose personal computer systems. This paper presents a novel DSP platform that has been developed for feedback control on the HBT-EP tokamak device. The system runs all signal processing exclusively on a Graphics Processing Unit (GPU) to achieve real-time performance with latencies below 8 μs. Signals are transferred into and out of the GPU using PCI Express peer-to-peer direct-memory-access transfers without involvement of the central processing unit or host memory. Tests were performed on the feedback control system of the HBT-EP tokamak using forty 16-bit floating point inputs and outputs each and a sampling rate of up to 250 kHz. Signals were digitized by a D-TACQ ACQ196 module, processing done on an NVIDIA GTX 580 GPU programmed in CUDA, and analog output was generated by D-TACQ AO32CPCI modules.

Heterogeneous CPU-GPU moving targets detection for UAV video

NASA Astrophysics Data System (ADS)

Li, Maowen; Tang, Linbo; Han, Yuqi; Yu, Chunlei; Zhang, Chao; Fu, Huiquan

2017-07-01

Moving targets detection is gaining popularity in civilian and military applications. On some monitoring platform of motion detection, some low-resolution stationary cameras are replaced by moving HD camera based on UAVs. The pixels of moving targets in the HD Video taken by UAV are always in a minority, and the background of the frame is usually moving because of the motion of UAVs. The high computational cost of the algorithm prevents running it at higher resolutions the pixels of frame. Hence, to solve the problem of moving targets detection based UAVs video, we propose a heterogeneous CPU-GPU moving target detection algorithm for UAV video. More specifically, we use background registration to eliminate the impact of the moving background and frame difference to detect small moving targets. In order to achieve the effect of real-time processing, we design the solution of heterogeneous CPU-GPU framework for our method. The experimental results show that our method can detect the main moving targets from the HD video taken by UAV, and the average process time is 52.16ms per frame which is fast enough to solve the problem.

Parallel hyperspectral compressive sensing method on GPU

NASA Astrophysics Data System (ADS)

Bernabé, Sergio; Martín, Gabriel; Nascimento, José M. P.

2015-10-01

Remote hyperspectral sensors collect large amounts of data per flight usually with low spatial resolution. It is known that the bandwidth connection between the satellite/airborne platform and the ground station is reduced, thus a compression onboard method is desirable to reduce the amount of data to be transmitted. This paper presents a parallel implementation of an compressive sensing method, called parallel hyperspectral coded aperture (P-HYCA), for graphics processing units (GPU) using the compute unified device architecture (CUDA). This method takes into account two main properties of hyperspectral dataset, namely the high correlation existing among the spectral bands and the generally low number of endmembers needed to explain the data, which largely reduces the number of measurements necessary to correctly reconstruct the original data. Experimental results conducted using synthetic and real hyperspectral datasets on two different GPU architectures by NVIDIA: GeForce GTX 590 and GeForce GTX TITAN, reveal that the use of GPUs can provide real-time compressive sensing performance. The achieved speedup is up to 20 times when compared with the processing time of HYCA running on one core of the Intel i7-2600 CPU (3.4GHz), with 16 Gbyte memory.

GPU accelerated Monte-Carlo simulation of SEM images for metrology

NASA Astrophysics Data System (ADS)

Verduin, T.; Lokhorst, S. R.; Hagen, C. W.

2016-03-01

In this work we address the computation times of numerical studies in dimensional metrology. In particular, full Monte-Carlo simulation programs for scanning electron microscopy (SEM) image acquisition are known to be notoriously slow. Our quest in reducing the computation time of SEM image simulation has led us to investigate the use of graphics processing units (GPUs) for metrology. We have succeeded in creating a full Monte-Carlo simulation program for SEM images, which runs entirely on a GPU. The physical scattering models of this GPU simulator are identical to a previous CPU-based simulator, which includes the dielectric function model for inelastic scattering and also refinements for low-voltage SEM applications. As a case study for the performance, we considered the simulated exposure of a complex feature: an isolated silicon line with rough sidewalls located on a at silicon substrate. The surface of the rough feature is decomposed into 408 012 triangles. We have used an exposure dose of 6 mC/cm2, which corresponds to 6 553 600 primary electrons on average (Poisson distributed). We repeat the simulation for various primary electron energies, 300 eV, 500 eV, 800 eV, 1 keV, 3 keV and 5 keV. At first we run the simulation on a GeForce GTX480 from NVIDIA. The very same simulation is duplicated on our CPU-based program, for which we have used an Intel Xeon X5650. Apart from statistics in the simulation, no difference is found between the CPU and GPU simulated results. The GTX480 generates the images (depending on the primary electron energy) 350 to 425 times faster than a single threaded Intel X5650 CPU. Although this is a tremendous speedup, we actually have not reached the maximum throughput because of the limited amount of available memory on the GTX480. Nevertheless, the speedup enables the fast acquisition of simulated SEM images for metrology. We now have the potential to investigate case studies in CD-SEM metrology, which otherwise would take unreasonable amounts of computation time.

A non-voxel-based broad-beam (NVBB) framework for IMRT treatment planning.

PubMed

Lu, Weiguo

2010-12-07

We present a novel framework that enables very large scale intensity-modulated radiation therapy (IMRT) planning in limited computation resources with improvements in cost, plan quality and planning throughput. Current IMRT optimization uses a voxel-based beamlet superposition (VBS) framework that requires pre-calculation and storage of a large amount of beamlet data, resulting in large temporal and spatial complexity. We developed a non-voxel-based broad-beam (NVBB) framework for IMRT capable of direct treatment parameter optimization (DTPO). In this framework, both objective function and derivative are evaluated based on the continuous viewpoint, abandoning 'voxel' and 'beamlet' representations. Thus pre-calculation and storage of beamlets are no longer needed. The NVBB framework has linear complexities (O(N(3))) in both space and time. The low memory, full computation and data parallelization nature of the framework render its efficient implementation on the graphic processing unit (GPU). We implemented the NVBB framework and incorporated it with the TomoTherapy treatment planning system (TPS). The new TPS runs on a single workstation with one GPU card (NVBB-GPU). Extensive verification/validation tests were performed in house and via third parties. Benchmarks on dose accuracy, plan quality and throughput were compared with the commercial TomoTherapy TPS that is based on the VBS framework and uses a computer cluster with 14 nodes (VBS-cluster). For all tests, the dose accuracy of these two TPSs is comparable (within 1%). Plan qualities were comparable with no clinically significant difference for most cases except that superior target uniformity was seen in the NVBB-GPU for some cases. However, the planning time using the NVBB-GPU was reduced many folds over the VBS-cluster. In conclusion, we developed a novel NVBB framework for IMRT optimization. The continuous viewpoint and DTPO nature of the algorithm eliminate the need for beamlets and lead to better plan quality. The computation parallelization on a GPU instead of a computer cluster significantly reduces hardware and service costs. Compared with using the current VBS framework on a computer cluster, the planning time is significantly reduced using the NVBB framework on a single workstation with a GPU card.

Sop-GPU: accelerating biomolecular simulations in the centisecond timescale using graphics processors.

PubMed

Zhmurov, A; Dima, R I; Kholodov, Y; Barsegov, V

2010-11-01

Theoretical exploration of fundamental biological processes involving the forced unraveling of multimeric proteins, the sliding motion in protein fibers and the mechanical deformation of biomolecular assemblies under physiological force loads is challenging even for distributed computing systems. Using a C(α)-based coarse-grained self organized polymer (SOP) model, we implemented the Langevin simulations of proteins on graphics processing units (SOP-GPU program). We assessed the computational performance of an end-to-end application of the program, where all the steps of the algorithm are running on a GPU, by profiling the simulation time and memory usage for a number of test systems. The ∼90-fold computational speedup on a GPU, compared with an optimized central processing unit program, enabled us to follow the dynamics in the centisecond timescale, and to obtain the force-extension profiles using experimental pulling speeds (v(f) = 1-10 μm/s) employed in atomic force microscopy and in optical tweezers-based dynamic force spectroscopy. We found that the mechanical molecular response critically depends on the conditions of force application and that the kinetics and pathways for unfolding change drastically even upon a modest 10-fold increase in v(f). This implies that, to resolve accurately the free energy landscape and to relate the results of single-molecule experiments in vitro and in silico, molecular simulations should be carried out under the experimentally relevant force loads. This can be accomplished in reasonable wall-clock time for biomolecules of size as large as 10(5) residues using the SOP-GPU package. © 2010 Wiley-Liss, Inc.

hybrid\\scriptsize{{MANTIS}}: a CPU-GPU Monte Carlo method for modeling indirect x-ray detectors with columnar scintillators

NASA Astrophysics Data System (ADS)

Sharma, Diksha; Badal, Andreu; Badano, Aldo

2012-04-01

The computational modeling of medical imaging systems often requires obtaining a large number of simulated images with low statistical uncertainty which translates into prohibitive computing times. We describe a novel hybrid approach for Monte Carlo simulations that maximizes utilization of CPUs and GPUs in modern workstations. We apply the method to the modeling of indirect x-ray detectors using a new and improved version of the code \\scriptsize{{MANTIS}}, an open source software tool used for the Monte Carlo simulations of indirect x-ray imagers. We first describe a GPU implementation of the physics and geometry models in fast\\scriptsize{{DETECT}}2 (the optical transport model) and a serial CPU version of the same code. We discuss its new features like on-the-fly column geometry and columnar crosstalk in relation to the \\scriptsize{{MANTIS}} code, and point out areas where our model provides more flexibility for the modeling of realistic columnar structures in large area detectors. Second, we modify \\scriptsize{{PENELOPE}} (the open source software package that handles the x-ray and electron transport in \\scriptsize{{MANTIS}}) to allow direct output of location and energy deposited during x-ray and electron interactions occurring within the scintillator. This information is then handled by optical transport routines in fast\\scriptsize{{DETECT}}2. A load balancer dynamically allocates optical transport showers to the GPU and CPU computing cores. Our hybrid\\scriptsize{{MANTIS}} approach achieves a significant speed-up factor of 627 when compared to \\scriptsize{{MANTIS}} and of 35 when compared to the same code running only in a CPU instead of a GPU. Using hybrid\\scriptsize{{MANTIS}}, we successfully hide hours of optical transport time by running it in parallel with the x-ray and electron transport, thus shifting the computational bottleneck from optical to x-ray transport. The new code requires much less memory than \\scriptsize{{MANTIS}} and, as a result, allows us to efficiently simulate large area detectors.

GPU acceleration of Dock6's Amber scoring computation.

PubMed

Yang, Hailong; Zhou, Qiongqiong; Li, Bo; Wang, Yongjian; Luan, Zhongzhi; Qian, Depei; Li, Hanlu

2010-01-01

Dressing the problem of virtual screening is a long-term goal in the drug discovery field, which if properly solved, can significantly shorten new drugs' R&D cycle. The scoring functionality that evaluates the fitness of the docking result is one of the major challenges in virtual screening. In general, scoring functionality in docking requires a large amount of floating-point calculations, which usually takes several weeks or even months to be finished. This time-consuming procedure is unacceptable, especially when highly fatal and infectious virus arises such as SARS and H1N1, which forces the scoring task to be done in a limited time. This paper presents how to leverage the computational power of GPU to accelerate Dock6's (http://dock.compbio.ucsf.edu/DOCK_6/) Amber (J. Comput. Chem. 25: 1157-1174, 2004) scoring with NVIDIA CUDA (NVIDIA Corporation Technical Staff, Compute Unified Device Architecture - Programming Guide, NVIDIA Corporation, 2008) (Compute Unified Device Architecture) platform. We also discuss many factors that will greatly influence the performance after porting the Amber scoring to GPU, including thread management, data transfer, and divergence hidden. Our experiments show that the GPU-accelerated Amber scoring achieves a 6.5× speedup with respect to the original version running on AMD dual-core CPU for the same problem size. This acceleration makes the Amber scoring more competitive and efficient for large-scale virtual screening problems.

CUDA-based acceleration of collateral filtering in brain MR images

NASA Astrophysics Data System (ADS)

Li, Cheng-Yuan; Chang, Herng-Hua

2017-02-01

Image denoising is one of the fundamental and essential tasks within image processing. In medical imaging, finding an effective algorithm that can remove random noise in MR images is important. This paper proposes an effective noise reduction method for brain magnetic resonance (MR) images. Our approach is based on the collateral filter which is a more powerful method than the bilateral filter in many cases. However, the computation of the collateral filter algorithm is quite time-consuming. To solve this problem, we improved the collateral filter algorithm with parallel computing using GPU. We adopted CUDA, an application programming interface for GPU by NVIDIA, to accelerate the computation. Our experimental evaluation on an Intel Xeon CPU E5-2620 v3 2.40GHz with a NVIDIA Tesla K40c GPU indicated that the proposed implementation runs dramatically faster than the traditional collateral filter. We believe that the proposed framework has established a general blueprint for achieving fast and robust filtering in a wide variety of medical image denoising applications.

GPU-based Parallel Application Design for Emerging Mobile Devices

NASA Astrophysics Data System (ADS)

Gupta, Kshitij

A revolution is underway in the computing world that is causing a fundamental paradigm shift in device capabilities and form-factor, with a move from well-established legacy desktop/laptop computers to mobile devices in varying sizes and shapes. Amongst all the tasks these devices must support, graphics has emerged as the 'killer app' for providing a fluid user interface and high-fidelity game rendering, effectively making the graphics processor (GPU) one of the key components in (present and future) mobile systems. By utilizing the GPU as a general-purpose parallel processor, this dissertation explores the GPU computing design space from an applications standpoint, in the mobile context, by focusing on key challenges presented by these devices---limited compute, memory bandwidth, and stringent power consumption requirements---while improving the overall application efficiency of the increasingly important speech recognition workload for mobile user interaction. We broadly partition trends in GPU computing into four major categories. We analyze hardware and programming model limitations in current-generation GPUs and detail an alternate programming style called Persistent Threads, identify four use case patterns, and propose minimal modifications that would be required for extending native support. We show how by manually extracting data locality and altering the speech recognition pipeline, we are able to achieve significant savings in memory bandwidth while simultaneously reducing the compute burden on GPU-like parallel processors. As we foresee GPU computing to evolve from its current 'co-processor' model into an independent 'applications processor' that is capable of executing complex work independently, we create an alternate application framework that enables the GPU to handle all control-flow dependencies autonomously at run-time while minimizing host involvement to just issuing commands, that facilitates an efficient application implementation. Finally, as compute and communication capabilities of mobile devices improve, we analyze energy implications of processing speech recognition locally (on-chip) and offloading it to servers (in-cloud).

The Q continuum simulation: Harnessing the power of GPU accelerated supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heitmann, Katrin; Frontiere, Nicholas; Sewell, Chris

2015-08-01

Modeling large-scale sky survey observations is a key driver for the continuing development of high-resolution, large-volume, cosmological simulations. We report the first results from the "Q Continuum" cosmological N-body simulation run carried out on the GPU-accelerated supercomputer Titan. The simulation encompasses a volume of (1300 Mpc)(3) and evolves more than half a trillion particles, leading to a particle mass resolution of m(p) similar or equal to 1.5 . 10(8) M-circle dot. At thismass resolution, the Q Continuum run is currently the largest cosmology simulation available. It enables the construction of detailed synthetic sky catalogs, encompassing different modeling methodologies, including semi-analyticmore » modeling and sub-halo abundance matching in a large, cosmological volume. Here we describe the simulation and outputs in detail and present first results for a range of cosmological statistics, such as mass power spectra, halo mass functions, and halo mass-concentration relations for different epochs. We also provide details on challenges connected to running a simulation on almost 90% of Titan, one of the fastest supercomputers in the world, including our usage of Titan's GPU accelerators.« less

High-Performance High-Order Simulation of Wave and Plasma Phenomena

NASA Astrophysics Data System (ADS)

Klockner, Andreas

This thesis presents results aiming to enhance and broaden the applicability of the discontinuous Galerkin ("DG") method in a variety of ways. DG was chosen as a foundation for this work because it yields high-order finite element discretizations with very favorable numerical properties for the treatment of hyperbolic conservation laws. In a first part, I examine progress that can be made on implementation aspects of DG. In adapting the method to mass-market massively parallel computation hardware in the form of graphics processors ("GPUs"), I obtain an increase in computation performance per unit of cost by more than an order of magnitude over conventional processor architectures. Key to this advance is a recipe that adapts DG to a variety of hardware through automated self-tuning. I discuss new parallel programming tools supporting GPU run-time code generation which are instrumental in the DG self-tuning process and contribute to its reaching application floating point throughput greater than 200 GFlops/s on a single GPU and greater than 3 TFlops/s on a 16-GPU cluster in simulations of electromagnetics problems in three dimensions. I further briefly discuss the solver infrastructure that makes this possible. In the second part of the thesis, I introduce a number of new numerical methods whose motivation is partly rooted in the opportunity created by GPU-DG: First, I construct and examine a novel GPU-capable shock detector, which, when used to control an artificial viscosity, helps stabilize DG computations in gas dynamics and a number of other fields. Second, I describe my pursuit of a method that allows the simulation of rarefied plasmas using a DG discretization of the electromagnetic field. Finally, I introduce new explicit multi-rate time integrators for ordinary differential equations with multiple time scales, with a focus on applicability to DG discretizations of time-dependent problems.

Combined algorithmic and GPU acceleration for ultra-fast circular conebeam backprojection

NASA Astrophysics Data System (ADS)

Brokish, Jeffrey; Sack, Paul; Bresler, Yoram

2010-04-01

In this paper, we describe the first implementation and performance of a fast O(N3logN) hierarchical backprojection algorithm for cone beam CT with a circular trajectory1,developed on a modern Graphics Processing Unit (GPU). The resulting tomographic backprojection system for 3D cone beam geometry combines speedup through algorithmic improvements provided by the hierarchical backprojection algorithm with speedup from a massively parallel hardware accelerator. For data parameters typical in diagnostic CT and using a mid-range GPU card, we report reconstruction speeds of up to 360 frames per second, and relative speedup of almost 6x compared to conventional backprojection on the same hardware. The significance of these results is twofold. First, they demonstrate that the reduction in operation counts demonstrated previously for the FHBP algorithm can be translated to a comparable run-time improvement in a massively parallel hardware implementation, while preserving stringent diagnostic image quality. Second, the dramatic speedup and throughput numbers achieved indicate the feasibility of systems based on this technology, which achieve real-time 3D reconstruction for state-of-the art diagnostic CT scanners with small footprint, high-reliability, and affordable cost.

Gpufit: An open-source toolkit for GPU-accelerated curve fitting.

PubMed

Przybylski, Adrian; Thiel, Björn; Keller-Findeisen, Jan; Stock, Bernd; Bates, Mark

2017-11-16

We present a general purpose, open-source software library for estimation of non-linear parameters by the Levenberg-Marquardt algorithm. The software, Gpufit, runs on a Graphics Processing Unit (GPU) and executes computations in parallel, resulting in a significant gain in performance. We measured a speed increase of up to 42 times when comparing Gpufit with an identical CPU-based algorithm, with no loss of precision or accuracy. Gpufit is designed such that it is easily incorporated into existing applications or adapted for new ones. Multiple software interfaces, including to C, Python, and Matlab, ensure that Gpufit is accessible from most programming environments. The full source code is published as an open source software repository, making its function transparent to the user and facilitating future improvements and extensions. As a demonstration, we used Gpufit to accelerate an existing scientific image analysis package, yielding significantly improved processing times for super-resolution fluorescence microscopy datasets.

GPU-Based Point Cloud Superpositioning for Structural Comparisons of Protein Binding Sites.

PubMed

Leinweber, Matthias; Fober, Thomas; Freisleben, Bernd

2018-01-01

In this paper, we present a novel approach to solve the labeled point cloud superpositioning problem for performing structural comparisons of protein binding sites. The solution is based on a parallel evolution strategy that operates on large populations and runs on GPU hardware. The proposed evolution strategy reduces the likelihood of getting stuck in a local optimum of the multimodal real-valued optimization problem represented by labeled point cloud superpositioning. The performance of the GPU-based parallel evolution strategy is compared to a previously proposed CPU-based sequential approach for labeled point cloud superpositioning, indicating that the GPU-based parallel evolution strategy leads to qualitatively better results and significantly shorter runtimes, with speed improvements of up to a factor of 1,500 for large populations. Binary classification tests based on the ATP, NADH, and FAD protein subsets of CavBase, a database containing putative binding sites, show average classification rate improvements from about 92 percent (CPU) to 96 percent (GPU). Further experiments indicate that the proposed GPU-based labeled point cloud superpositioning approach can be superior to traditional protein comparison approaches based on sequence alignments.

Software Accelerates Computing Time for Complex Math

NASA Technical Reports Server (NTRS)

2014-01-01

Ames Research Center awarded Newark, Delaware-based EM Photonics Inc. SBIR funding to utilize graphic processing unit (GPU) technology- traditionally used for computer video games-to develop high-computing software called CULA. The software gives users the ability to run complex algorithms on personal computers with greater speed. As a result of the NASA collaboration, the number of employees at the company has increased 10 percent.

Sub-second pencil beam dose calculation on GPU for adaptive proton therapy.

PubMed

da Silva, Joakim; Ansorge, Richard; Jena, Rajesh

2015-06-21

Although proton therapy delivered using scanned pencil beams has the potential to produce better dose conformity than conventional radiotherapy, the created dose distributions are more sensitive to anatomical changes and patient motion. Therefore, the introduction of adaptive treatment techniques where the dose can be monitored as it is being delivered is highly desirable. We present a GPU-based dose calculation engine relying on the widely used pencil beam algorithm, developed for on-line dose calculation. The calculation engine was implemented from scratch, with each step of the algorithm parallelized and adapted to run efficiently on the GPU architecture. To ensure fast calculation, it employs several application-specific modifications and simplifications, and a fast scatter-based implementation of the computationally expensive kernel superposition step. The calculation time for a skull base treatment plan using two beam directions was 0.22 s on an Nvidia Tesla K40 GPU, whereas a test case of a cubic target in water from the literature took 0.14 s to calculate. The accuracy of the patient dose distributions was assessed by calculating the γ-index with respect to a gold standard Monte Carlo simulation. The passing rates were 99.2% and 96.7%, respectively, for the 3%/3 mm and 2%/2 mm criteria, matching those produced by a clinical treatment planning system.

GPU-accelerated depth map generation for X-ray simulations of complex CAD geometries

NASA Astrophysics Data System (ADS)

Grandin, Robert J.; Young, Gavin; Holland, Stephen D.; Krishnamurthy, Adarsh

2018-04-01

Interactive x-ray simulations of complex computer-aided design (CAD) models can provide valuable insights for better interpretation of the defect signatures such as porosity from x-ray CT images. Generating the depth map along a particular direction for the given CAD geometry is the most compute-intensive step in x-ray simulations. We have developed a GPU-accelerated method for real-time generation of depth maps of complex CAD geometries. We preprocess complex components designed using commercial CAD systems using a custom CAD module and convert them into a fine user-defined surface tessellation. Our CAD module can be used by different simulators as well as handle complex geometries, including those that arise from complex castings and composite structures. We then make use of a parallel algorithm that runs on a graphics processing unit (GPU) to convert the finely-tessellated CAD model to a voxelized representation. The voxelized representation can enable heterogeneous modeling of the volume enclosed by the CAD model by assigning heterogeneous material properties in specific regions. The depth maps are generated from this voxelized representation with the help of a GPU-accelerated ray-casting algorithm. The GPU-accelerated ray-casting method enables interactive (> 60 frames-per-second) generation of the depth maps of complex CAD geometries. This enables arbitrarily rotation and slicing of the CAD model, leading to better interpretation of the x-ray images by the user. In addition, the depth maps can be used to aid directly in CT reconstruction algorithms.

Supporting Real-Time Computer Vision Workloads using OpenVX on Multicore+GPU Platforms

DTIC Science & Technology

2015-05-01

a registered trademark of the NVIDIA Corporation . Report Documentation Page Form ApprovedOMB No. 0704-0188 Public reporting burden for the collection...from NVIDIA , we adapted an alpha- version of an NVIDIA OpenVX implementation called VisionWorks® [3] to run atop PGMRT (a graph-based mid- dleware...time support to an OpenVX implementation by NVIDIA called VisionWorks. Our modifications were applied to an alpha-version of VisionWorks. This alpha

Accelerating cardiac bidomain simulations using graphics processing units.

PubMed

Neic, A; Liebmann, M; Hoetzl, E; Mitchell, L; Vigmond, E J; Haase, G; Plank, G

2012-08-01

Anatomically realistic and biophysically detailed multiscale computer models of the heart are playing an increasingly important role in advancing our understanding of integrated cardiac function in health and disease. Such detailed simulations, however, are computationally vastly demanding, which is a limiting factor for a wider adoption of in-silico modeling. While current trends in high-performance computing (HPC) hardware promise to alleviate this problem, exploiting the potential of such architectures remains challenging since strongly scalable algorithms are necessitated to reduce execution times. Alternatively, acceleration technologies such as graphics processing units (GPUs) are being considered. While the potential of GPUs has been demonstrated in various applications, benefits in the context of bidomain simulations where large sparse linear systems have to be solved in parallel with advanced numerical techniques are less clear. In this study, the feasibility of multi-GPU bidomain simulations is demonstrated by running strong scalability benchmarks using a state-of-the-art model of rabbit ventricles. The model is spatially discretized using the finite element methods (FEM) on fully unstructured grids. The GPU code is directly derived from a large pre-existing code, the Cardiac Arrhythmia Research Package (CARP), with very minor perturbation of the code base. Overall, bidomain simulations were sped up by a factor of 11.8 to 16.3 in benchmarks running on 6-20 GPUs compared to the same number of CPU cores. To match the fastest GPU simulation which engaged 20 GPUs, 476 CPU cores were required on a national supercomputing facility.

Accelerating Cardiac Bidomain Simulations Using Graphics Processing Units

PubMed Central

Neic, Aurel; Liebmann, Manfred; Hoetzl, Elena; Mitchell, Lawrence; Vigmond, Edward J.; Haase, Gundolf

2013-01-01

Anatomically realistic and biophysically detailed multiscale computer models of the heart are playing an increasingly important role in advancing our understanding of integrated cardiac function in health and disease. Such detailed simulations, however, are computationally vastly demanding, which is a limiting factor for a wider adoption of in-silico modeling. While current trends in high-performance computing (HPC) hardware promise to alleviate this problem, exploiting the potential of such architectures remains challenging since strongly scalable algorithms are necessitated to reduce execution times. Alternatively, acceleration technologies such as graphics processing units (GPUs) are being considered. While the potential of GPUs has been demonstrated in various applications, benefits in the context of bidomain simulations where large sparse linear systems have to be solved in parallel with advanced numerical techniques are less clear. In this study, the feasibility of multi-GPU bidomain simulations is demonstrated by running strong scalability benchmarks using a state-of-the-art model of rabbit ventricles. The model is spatially discretized using the finite element methods (FEM) on fully unstructured grids. The GPU code is directly derived from a large pre-existing code, the Cardiac Arrhythmia Research Package (CARP), with very minor perturbation of the code base. Overall, bidomain simulations were sped up by a factor of 11.8 to 16.3 in benchmarks running on 6–20 GPUs compared to the same number of CPU cores. To match the fastest GPU simulation which engaged 20GPUs, 476 CPU cores were required on a national supercomputing facility. PMID:22692867

SU-D-BRD-03: A Gateway for GPU Computing in Cancer Radiotherapy Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jia, X; Folkerts, M; Shi, F

Purpose: Graphics Processing Unit (GPU) has become increasingly important in radiotherapy. However, it is still difficult for general clinical researchers to access GPU codes developed by other researchers, and for developers to objectively benchmark their codes. Moreover, it is quite often to see repeated efforts spent on developing low-quality GPU codes. The goal of this project is to establish an infrastructure for testing GPU codes, cross comparing them, and facilitating code distributions in radiotherapy community. Methods: We developed a system called Gateway for GPU Computing in Cancer Radiotherapy Research (GCR2). A number of GPU codes developed by our group andmore » other developers can be accessed via a web interface. To use the services, researchers first upload their test data or use the standard data provided by our system. Then they can select the GPU device on which the code will be executed. Our system offers all mainstream GPU hardware for code benchmarking purpose. After the code running is complete, the system automatically summarizes and displays the computing results. We also released a SDK to allow the developers to build their own algorithm implementation and submit their binary codes to the system. The submitted code is then systematically benchmarked using a variety of GPU hardware and representative data provided by our system. The developers can also compare their codes with others and generate benchmarking reports. Results: It is found that the developed system is fully functioning. Through a user-friendly web interface, researchers are able to test various GPU codes. Developers also benefit from this platform by comprehensively benchmarking their codes on various GPU platforms and representative clinical data sets. Conclusion: We have developed an open platform allowing the clinical researchers and developers to access the GPUs and GPU codes. This development will facilitate the utilization of GPU in radiation therapy field.« less

GASPRNG: GPU accelerated scalable parallel random number generator library

NASA Astrophysics Data System (ADS)

Gao, Shuang; Peterson, Gregory D.

2013-04-01

Graphics processors represent a promising technology for accelerating computational science applications. Many computational science applications require fast and scalable random number generation with good statistical properties, so they use the Scalable Parallel Random Number Generators library (SPRNG). We present the GPU Accelerated SPRNG library (GASPRNG) to accelerate SPRNG in GPU-based high performance computing systems. GASPRNG includes code for a host CPU and CUDA code for execution on NVIDIA graphics processing units (GPUs) along with a programming interface to support various usage models for pseudorandom numbers and computational science applications executing on the CPU, GPU, or both. This paper describes the implementation approach used to produce high performance and also describes how to use the programming interface. The programming interface allows a user to be able to use GASPRNG the same way as SPRNG on traditional serial or parallel computers as well as to develop tightly coupled programs executing primarily on the GPU. We also describe how to install GASPRNG and use it. To help illustrate linking with GASPRNG, various demonstration codes are included for the different usage models. GASPRNG on a single GPU shows up to 280x speedup over SPRNG on a single CPU core and is able to scale for larger systems in the same manner as SPRNG. Because GASPRNG generates identical streams of pseudorandom numbers as SPRNG, users can be confident about the quality of GASPRNG for scalable computational science applications. Catalogue identifier: AEOI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOI_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: UTK license. No. of lines in distributed program, including test data, etc.: 167900 No. of bytes in distributed program, including test data, etc.: 1422058 Distribution format: tar.gz Programming language: C and CUDA. Computer: Any PC or workstation with NVIDIA GPU (Tested on Fermi GTX480, Tesla C1060, Tesla M2070). Operating system: Linux with CUDA version 4.0 or later. Should also run on MacOS, Windows, or UNIX. Has the code been vectorized or parallelized?: Yes. Parallelized using MPI directives. RAM: 512 MB˜ 732 MB (main memory on host CPU, depending on the data type of random numbers.) / 512 MB (GPU global memory) Classification: 4.13, 6.5. Nature of problem: Many computational science applications are able to consume large numbers of random numbers. For example, Monte Carlo simulations are able to consume limitless random numbers for the computation as long as resources for the computing are supported. Moreover, parallel computational science applications require independent streams of random numbers to attain statistically significant results. The SPRNG library provides this capability, but at a significant computational cost. The GASPRNG library presented here accelerates the generators of independent streams of random numbers using graphical processing units (GPUs). Solution method: Multiple copies of random number generators in GPUs allow a computational science application to consume large numbers of random numbers from independent, parallel streams. GASPRNG is a random number generators library to allow a computational science application to employ multiple copies of random number generators to boost performance. Users can interface GASPRNG with software code executing on microprocessors and/or GPUs. Running time: The tests provided take a few minutes to run.

Multi-GPU three dimensional Stokes solver for simulating glacier flow

NASA Astrophysics Data System (ADS)

Licul, Aleksandar; Herman, Frédéric; Podladchikov, Yuri; Räss, Ludovic; Omlin, Samuel

2016-04-01

Here we present how we have recently developed a three-dimensional Stokes solver on the GPUs and apply it to a glacier flow. We numerically solve the Stokes momentum balance equations together with the incompressibility equation, while also taking into account strong nonlinearities for ice rheology. We have developed a fully three-dimensional numerical MATLAB application based on an iterative finite difference scheme with preconditioning of residuals. Differential equations are discretized on a regular staggered grid. We have ported it to C-CUDA to run it on GPU's in parallel, using MPI. We demonstrate the accuracy and efficiency of our developed model by manufactured analytical solution test for three-dimensional Stokes ice sheet models (Leng et al.,2013) and by comparison with other well-established ice sheet models on diagnostic ISMIP-HOM benchmark experiments (Pattyn et al., 2008). The results show that our developed model is capable to accurately and efficiently solve Stokes system of equations in a variety of different test scenarios, while preserving good parallel efficiency on up to 80 GPU's. For example, in 3D test scenarios with 250000 grid points our solver converges in around 3 minutes for single precision computations and around 10 minutes for double precision computations. We have also optimized the developed code to efficiently run on our newly acquired state-of-the-art GPU cluster octopus. This allows us to solve our problem on more than 20 million grid points, by just increasing the number of GPU used, while keeping the computation time the same. In future work we will apply our solver to real world applications and implement the free surface evolution capabilities. REFERENCES Leng,W.,Ju,L.,Gunzburger,M. & Price,S., 2013. Manufactured solutions and the verification of three-dimensional stokes ice-sheet models. Cryosphere 7,19-29. Pattyn, F., Perichon, L., Aschwanden, A., Breuer, B., de Smedt, B., Gagliardini, O., Gudmundsson,G.H., Hindmarsh, R.C.A., Hubbard, A., Johnson, J.V., Kleiner, T., Konovalov,Y., Martin, C., Payne, A.J., Pollard, D., Price, S., Rckamp, M., Saito, F., Souk, O.,Sugiyama, S. & Zwinger, T., 2008. Benchmark experiments for higher-order and full-stokes ice sheet models (ismiphom). The Cryosphere 2, 95-108.

Large-scale neural circuit mapping data analysis accelerated with the graphical processing unit (GPU).

PubMed

Shi, Yulin; Veidenbaum, Alexander V; Nicolau, Alex; Xu, Xiangmin

2015-01-15

Modern neuroscience research demands computing power. Neural circuit mapping studies such as those using laser scanning photostimulation (LSPS) produce large amounts of data and require intensive computation for post hoc processing and analysis. Here we report on the design and implementation of a cost-effective desktop computer system for accelerated experimental data processing with recent GPU computing technology. A new version of Matlab software with GPU enabled functions is used to develop programs that run on Nvidia GPUs to harness their parallel computing power. We evaluated both the central processing unit (CPU) and GPU-enabled computational performance of our system in benchmark testing and practical applications. The experimental results show that the GPU-CPU co-processing of simulated data and actual LSPS experimental data clearly outperformed the multi-core CPU with up to a 22× speedup, depending on computational tasks. Further, we present a comparison of numerical accuracy between GPU and CPU computation to verify the precision of GPU computation. In addition, we show how GPUs can be effectively adapted to improve the performance of commercial image processing software such as Adobe Photoshop. To our best knowledge, this is the first demonstration of GPU application in neural circuit mapping and electrophysiology-based data processing. Together, GPU enabled computation enhances our ability to process large-scale data sets derived from neural circuit mapping studies, allowing for increased processing speeds while retaining data precision. Copyright © 2014 Elsevier B.V. All rights reserved.

Large scale neural circuit mapping data analysis accelerated with the graphical processing unit (GPU)

PubMed Central

Shi, Yulin; Veidenbaum, Alexander V.; Nicolau, Alex; Xu, Xiangmin

2014-01-01

Background Modern neuroscience research demands computing power. Neural circuit mapping studies such as those using laser scanning photostimulation (LSPS) produce large amounts of data and require intensive computation for post-hoc processing and analysis. New Method Here we report on the design and implementation of a cost-effective desktop computer system for accelerated experimental data processing with recent GPU computing technology. A new version of Matlab software with GPU enabled functions is used to develop programs that run on Nvidia GPUs to harness their parallel computing power. Results We evaluated both the central processing unit (CPU) and GPU-enabled computational performance of our system in benchmark testing and practical applications. The experimental results show that the GPU-CPU co-processing of simulated data and actual LSPS experimental data clearly outperformed the multi-core CPU with up to a 22x speedup, depending on computational tasks. Further, we present a comparison of numerical accuracy between GPU and CPU computation to verify the precision of GPU computation. In addition, we show how GPUs can be effectively adapted to improve the performance of commercial image processing software such as Adobe Photoshop. Comparison with Existing Method(s) To our best knowledge, this is the first demonstration of GPU application in neural circuit mapping and electrophysiology-based data processing. Conclusions Together, GPU enabled computation enhances our ability to process large-scale data sets derived from neural circuit mapping studies, allowing for increased processing speeds while retaining data precision. PMID:25277633

BlochSolver: A GPU-optimized fast 3D MRI simulator for experimentally compatible pulse sequences

NASA Astrophysics Data System (ADS)

Kose, Ryoichi; Kose, Katsumi

2017-08-01

A magnetic resonance imaging (MRI) simulator, which reproduces MRI experiments using computers, has been developed using two graphic-processor-unit (GPU) boards (GTX 1080). The MRI simulator was developed to run according to pulse sequences used in experiments. Experiments and simulations were performed to demonstrate the usefulness of the MRI simulator for three types of pulse sequences, namely, three-dimensional (3D) gradient-echo, 3D radio-frequency spoiled gradient-echo, and gradient-echo multislice with practical matrix sizes. The results demonstrated that the calculation speed using two GPU boards was typically about 7 TFLOPS and about 14 times faster than the calculation speed using CPUs (two 18-core Xeons). We also found that MR images acquired by experiment could be reproduced using an appropriate number of subvoxels, and that 3D isotropic and two-dimensional multislice imaging experiments for practical matrix sizes could be simulated using the MRI simulator. Therefore, we concluded that such powerful MRI simulators are expected to become an indispensable tool for MRI research and development.

Real-time autocorrelator for fluorescence correlation spectroscopy based on graphical-processor-unit architecture: method, implementation, and comparative studies

NASA Astrophysics Data System (ADS)

Laracuente, Nicholas; Grossman, Carl

2013-03-01

We developed an algorithm and software to calculate autocorrelation functions from real-time photon-counting data using the fast, parallel capabilities of graphical processor units (GPUs). Recent developments in hardware and software have allowed for general purpose computing with inexpensive GPU hardware. These devices are more suited for emulating hardware autocorrelators than traditional CPU-based software applications by emphasizing parallel throughput over sequential speed. Incoming data are binned in a standard multi-tau scheme with configurable points-per-bin size and are mapped into a GPU memory pattern to reduce time-expensive memory access. Applications include dynamic light scattering (DLS) and fluorescence correlation spectroscopy (FCS) experiments. We ran the software on a 64-core graphics pci card in a 3.2 GHz Intel i5 CPU based computer running Linux. FCS measurements were made on Alexa-546 and Texas Red dyes in a standard buffer (PBS). Software correlations were compared to hardware correlator measurements on the same signals. Supported by HHMI and Swarthmore College

Scalable streaming tools for analyzing N-body simulations: Finding halos and investigating excursion sets in one pass

NASA Astrophysics Data System (ADS)

Ivkin, N.; Liu, Z.; Yang, L. F.; Kumar, S. S.; Lemson, G.; Neyrinck, M.; Szalay, A. S.; Braverman, V.; Budavari, T.

2018-04-01

Cosmological N-body simulations play a vital role in studying models for the evolution of the Universe. To compare to observations and make a scientific inference, statistic analysis on large simulation datasets, e.g., finding halos, obtaining multi-point correlation functions, is crucial. However, traditional in-memory methods for these tasks do not scale to the datasets that are forbiddingly large in modern simulations. Our prior paper (Liu et al., 2015) proposes memory-efficient streaming algorithms that can find the largest halos in a simulation with up to 109 particles on a small server or desktop. However, this approach fails when directly scaling to larger datasets. This paper presents a robust streaming tool that leverages state-of-the-art techniques on GPU boosting, sampling, and parallel I/O, to significantly improve performance and scalability. Our rigorous analysis of the sketch parameters improves the previous results from finding the centers of the 103 largest halos (Liu et al., 2015) to ∼ 104 - 105, and reveals the trade-offs between memory, running time and number of halos. Our experiments show that our tool can scale to datasets with up to ∼ 1012 particles while using less than an hour of running time on a single GPU Nvidia GTX 1080.

A GPU Parallelization of the Absolute Nodal Coordinate Formulation for Applications in Flexible Multibody Dynamics

DTIC Science & Technology

2012-02-17

to be solved. Disclaimer: Reference herein to any specific commercial company , product, process, or service by trade name, trademark...data processing rather than data caching and control flow. To make use of this computational power, NVIDIA introduced a general purpose parallel...GPU implementations were run on an Intel Nehalem Xeon E5520 2.26GHz processor with an NVIDIA Tesla C2070 graphics card for varying numbers of

Rapid scatter estimation for CBCT using the Boltzmann transport equation

NASA Astrophysics Data System (ADS)

Sun, Mingshan; Maslowski, Alex; Davis, Ian; Wareing, Todd; Failla, Gregory; Star-Lack, Josh

2014-03-01

Scatter in cone-beam computed tomography (CBCT) is a significant problem that degrades image contrast, uniformity and CT number accuracy. One means of estimating and correcting for detected scatter is through an iterative deconvolution process known as scatter kernel superposition (SKS). While the SKS approach is efficient, clinically significant errors on the order 2-4% (20-40 HU) still remain. We have previously shown that the kernel method can be improved by perturbing the kernel parameters based on reference data provided by limited Monte Carlo simulations of a first-pass reconstruction. In this work, we replace the Monte Carlo modeling with a deterministic Boltzmann solver (AcurosCTS) to generate the reference scatter data in a dramatically reduced time. In addition, the algorithm is improved so that instead of adjusting kernel parameters, we directly perturb the SKS scatter estimates. Studies were conducted on simulated data and on a large pelvis phantom scanned on a tabletop system. The new method reduced average reconstruction errors (relative to a reference scan) from 2.5% to 1.8%, and significantly improved visualization of low contrast objects. In total, 24 projections were simulated with an AcurosCTS execution time of 22 sec/projection using an 8-core computer. We have ported AcurosCTS to the GPU, and current run-times are approximately 4 sec/projection using two GPU's running in parallel.

G.A.M.E.: GPU-accelerated mixture elucidator.

PubMed

Schurz, Alioune; Su, Bo-Han; Tu, Yi-Shu; Lu, Tony Tsung-Yu; Lin, Olivia A; Tseng, Yufeng J

2017-09-15

GPU acceleration is useful in solving complex chemical information problems. Identifying unknown structures from the mass spectra of natural product mixtures has been a desirable yet unresolved issue in metabolomics. However, this elucidation process has been hampered by complex experimental data and the inability of instruments to completely separate different compounds. Fortunately, with current high-resolution mass spectrometry, one feasible strategy is to define this problem as extending a scaffold database with sidechains of different probabilities to match the high-resolution mass obtained from a high-resolution mass spectrum. By introducing a dynamic programming (DP) algorithm, it is possible to solve this NP-complete problem in pseudo-polynomial time. However, the running time of the DP algorithm grows by orders of magnitude as the number of mass decimal digits increases, thus limiting the boost in structural prediction capabilities. By harnessing the heavily parallel architecture of modern GPUs, we designed a "compute unified device architecture" (CUDA)-based GPU-accelerated mixture elucidator (G.A.M.E.) that considerably improves the performance of the DP, allowing up to five decimal digits for input mass data. As exemplified by four testing datasets with verified constitutions from natural products, G.A.M.E. allows for efficient and automatic structural elucidation of unknown mixtures for practical procedures. Graphical abstract .

A new climate modeling framework for convection-resolving simulation at continental scale

NASA Astrophysics Data System (ADS)

Charpilloz, Christophe; di Girolamo, Salvatore; Arteaga, Andrea; Fuhrer, Oliver; Hoefler, Torsten; Schulthess, Thomas; Schär, Christoph

2017-04-01

Major uncertainties remain in our understanding of the processes that govern the water cycle in a changing climate and their representation in weather and climate models. Of particular concern are heavy precipitation events of convective origin (thunderstorms and rain showers). The aim of the crCLIM project [1] is to propose a new climate modeling framework that alleviates the I/O-bottleneck in large-scale, convection-resolving climate simulations and thus to enable new analysis techniques for climate scientists. Due to the large computational costs, convection-resolving simulations are currently restricted to small computational domains or very short time scales, unless the largest available supercomputers system such as hybrid CPU-GPU architectures are used [3]. Hence, the COSMO model has been adapted to run on these architectures for research and production purposes [2]. However, the amount of generated data also increases and storing this data becomes infeasible making the analysis of simulations results impractical. To circumvent this problem and enable high-resolution models in climate we propose a data-virtualization layer (DVL) that re-runs simulations on demand and transparently manages the data for the analysis, that means we trade off computational effort (time) for storage (space). This approach also requires a bit-reproducible version of the COSMO model that produces identical results on different architectures (CPUs and GPUs) [4] that will be coupled with a performance model in order enable optimal re-runs depending on requirements of the re-run and available resources. In this contribution, we discuss the strategy to develop the DVL, a first performance model, the challenge of bit-reproducibility and the first results of the crCLIM project. [1] http://www.c2sm.ethz.ch/research/crCLIM.html [2] O. Fuhrer, C. Osuna, X. Lapillonne, T. Gysi, M. Bianco, and T. Schulthess. "Towards gpu-accelerated operational weather forecasting." In The GPU Technology Conference, GTC. 2013. [3] D. Leutwyler, O. Fuhrer, X. Lapillonne, D. Lüthi, and C. Schär. "Towards European-scale convection-resolving climate simulations with GPUs: a study with COSMO 4.19." Geoscientific Model Development 9, no. 9 (2016): 3393. [4] A. Arteaga, O. Fuhrer, and T. Hoefler. "Designing bit-reproducible portable high-performance applications." In Parallel and Distributed Processing Symposium, 2014 IEEE 28th International, pp. 1235-1244. IEEE, 2014.

Execution of a parallel edge-based Navier-Stokes solver on commodity graphics processor units

NASA Astrophysics Data System (ADS)

Corral, Roque; Gisbert, Fernando; Pueblas, Jesus

2017-02-01

The implementation of an edge-based three-dimensional Reynolds Average Navier-Stokes solver for unstructured grids able to run on multiple graphics processing units (GPUs) is presented. Loops over edges, which are the most time-consuming part of the solver, have been written to exploit the massively parallel capabilities of GPUs. Non-blocking communications between parallel processes and between the GPU and the central processor unit (CPU) have been used to enhance code scalability. The code is written using a mixture of C++ and OpenCL, to allow the execution of the source code on GPUs. The Message Passage Interface (MPI) library is used to allow the parallel execution of the solver on multiple GPUs. A comparative study of the solver parallel performance is carried out using a cluster of CPUs and another of GPUs. It is shown that a single GPU is up to 64 times faster than a single CPU core. The parallel scalability of the solver is mainly degraded due to the loss of computing efficiency of the GPU when the size of the case decreases. However, for large enough grid sizes, the scalability is strongly improved. A cluster featuring commodity GPUs and a high bandwidth network is ten times less costly and consumes 33% less energy than a CPU-based cluster with an equivalent computational power.

Sub-second pencil beam dose calculation on GPU for adaptive proton therapy

NASA Astrophysics Data System (ADS)

da Silva, Joakim; Ansorge, Richard; Jena, Rajesh

2015-06-01

Although proton therapy delivered using scanned pencil beams has the potential to produce better dose conformity than conventional radiotherapy, the created dose distributions are more sensitive to anatomical changes and patient motion. Therefore, the introduction of adaptive treatment techniques where the dose can be monitored as it is being delivered is highly desirable. We present a GPU-based dose calculation engine relying on the widely used pencil beam algorithm, developed for on-line dose calculation. The calculation engine was implemented from scratch, with each step of the algorithm parallelized and adapted to run efficiently on the GPU architecture. To ensure fast calculation, it employs several application-specific modifications and simplifications, and a fast scatter-based implementation of the computationally expensive kernel superposition step. The calculation time for a skull base treatment plan using two beam directions was 0.22 s on an Nvidia Tesla K40 GPU, whereas a test case of a cubic target in water from the literature took 0.14 s to calculate. The accuracy of the patient dose distributions was assessed by calculating the γ-index with respect to a gold standard Monte Carlo simulation. The passing rates were 99.2% and 96.7%, respectively, for the 3%/3 mm and 2%/2 mm criteria, matching those produced by a clinical treatment planning system.

CUDA compatible GPU cards as efficient hardware accelerators for Smith-Waterman sequence alignment

PubMed Central

Manavski, Svetlin A; Valle, Giorgio

2008-01-01

Background Searching for similarities in protein and DNA databases has become a routine procedure in Molecular Biology. The Smith-Waterman algorithm has been available for more than 25 years. It is based on a dynamic programming approach that explores all the possible alignments between two sequences; as a result it returns the optimal local alignment. Unfortunately, the computational cost is very high, requiring a number of operations proportional to the product of the length of two sequences. Furthermore, the exponential growth of protein and DNA databases makes the Smith-Waterman algorithm unrealistic for searching similarities in large sets of sequences. For these reasons heuristic approaches such as those implemented in FASTA and BLAST tend to be preferred, allowing faster execution times at the cost of reduced sensitivity. The main motivation of our work is to exploit the huge computational power of commonly available graphic cards, to develop high performance solutions for sequence alignment. Results In this paper we present what we believe is the fastest solution of the exact Smith-Waterman algorithm running on commodity hardware. It is implemented in the recently released CUDA programming environment by NVidia. CUDA allows direct access to the hardware primitives of the last-generation Graphics Processing Units (GPU) G80. Speeds of more than 3.5 GCUPS (Giga Cell Updates Per Second) are achieved on a workstation running two GeForce 8800 GTX. Exhaustive tests have been done to compare our implementation to SSEARCH and BLAST, running on a 3 GHz Intel Pentium IV processor. Our solution was also compared to a recently published GPU implementation and to a Single Instruction Multiple Data (SIMD) solution. These tests show that our implementation performs from 2 to 30 times faster than any other previous attempt available on commodity hardware. Conclusions The results show that graphic cards are now sufficiently advanced to be used as efficient hardware accelerators for sequence alignment. Their performance is better than any alternative available on commodity hardware platforms. The solution presented in this paper allows large scale alignments to be performed at low cost, using the exact Smith-Waterman algorithm instead of the largely adopted heuristic approaches. PMID:18387198

DualSPHysics: A numerical tool to simulate real breakwaters

NASA Astrophysics Data System (ADS)

Zhang, Feng; Crespo, Alejandro; Altomare, Corrado; Domínguez, José; Marzeddu, Andrea; Shang, Shao-ping; Gómez-Gesteira, Moncho

2018-02-01

The open-source code DualSPHysics is used in this work to compute the wave run-up in an existing dike in the Chinese coast using realistic dimensions, bathymetry and wave conditions. The GPU computing power of the DualSPHysics allows simulating real-engineering problems that involve complex geometries with a high resolution in a reasonable computational time. The code is first validated by comparing the numerical free-surface elevation, the wave orbital velocities and the time series of the run-up with physical data in a wave flume. Those experiments include a smooth dike and an armored dike with two layers of cubic blocks. After validation, the code is applied to a real case to obtain the wave run-up under different incident wave conditions. In order to simulate the real open sea, the spurious reflections from the wavemaker are removed by using an active wave absorption technique.

Fast analysis of molecular dynamics trajectories with graphics processing units-Radial distribution function histogramming

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levine, Benjamin G., E-mail: ben.levine@temple.ed; Stone, John E., E-mail: johns@ks.uiuc.ed; Kohlmeyer, Axel, E-mail: akohlmey@temple.ed

2011-05-01

The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in the calculation of the RDF is building a histogram of the distance between atom pairs in each trajectory frame. Here we present an implementation of this histogramming scheme for multiple graphics processing units (GPUs). The algorithm features a tiling scheme to maximize the reuse of data at the fastest levels of the GPU's memory hierarchy and dynamic load balancing to allow high performance on heterogeneous configurations of GPUs. Several versions of the RDF algorithm aremore » presented, utilizing the specific hardware features found on different generations of GPUs. We take advantage of larger shared memory and atomic memory operations available on state-of-the-art GPUs to accelerate the code significantly. The use of atomic memory operations allows the fast, limited-capacity on-chip memory to be used much more efficiently, resulting in a fivefold increase in performance compared to the version of the algorithm without atomic operations. The ultimate version of the algorithm running in parallel on four NVIDIA GeForce GTX 480 (Fermi) GPUs was found to be 92 times faster than a multithreaded implementation running on an Intel Xeon 5550 CPU. On this multi-GPU hardware, the RDF between two selections of 1,000,000 atoms each can be calculated in 26.9 s per frame. The multi-GPU RDF algorithms described here are implemented in VMD, a widely used and freely available software package for molecular dynamics visualization and analysis.« less

A New GPU-Enabled MODTRAN Thermal Model for the PLUME TRACKER Volcanic Emission Analysis Toolkit

NASA Astrophysics Data System (ADS)

Acharya, P. K.; Berk, A.; Guiang, C.; Kennett, R.; Perkins, T.; Realmuto, V. J.

2013-12-01

Real-time quantification of volcanic gaseous and particulate releases is important for (1) recognizing rapid increases in SO2 gaseous emissions which may signal an impending eruption; (2) characterizing ash clouds to enable safe and efficient commercial aviation; and (3) quantifying the impact of volcanic aerosols on climate forcing. The Jet Propulsion Laboratory (JPL) has developed state-of-the-art algorithms, embedded in their analyst-driven Plume Tracker toolkit, for performing SO2, NH3, and CH4 retrievals from remotely sensed multi-spectral Thermal InfraRed spectral imagery. While Plume Tracker provides accurate results, it typically requires extensive analyst time. A major bottleneck in this processing is the relatively slow but accurate FORTRAN-based MODTRAN atmospheric and plume radiance model, developed by Spectral Sciences, Inc. (SSI). To overcome this bottleneck, SSI in collaboration with JPL, is porting these slow thermal radiance algorithms onto massively parallel, relatively inexpensive and commercially-available GPUs. This paper discusses SSI's efforts to accelerate the MODTRAN thermal emission algorithms used by Plume Tracker. Specifically, we are developing a GPU implementation of the Curtis-Godson averaging and the Voigt in-band transmittances from near line center molecular absorption, which comprise the major computational bottleneck. The transmittance calculations were decomposed into separate functions, individually implemented as GPU kernels, and tested for accuracy and performance relative to the original CPU code. Speedup factors of 14 to 30× were realized for individual processing components on an NVIDIA GeForce GTX 295 graphics card with no loss of accuracy. Due to the separate host (CPU) and device (GPU) memory spaces, a redesign of the MODTRAN architecture was required to ensure efficient data transfer between host and device, and to facilitate high parallel throughput. Currently, we are incorporating the separate GPU kernels into a single function for calculating the Voigt in-band transmittance, and subsequently for integration into the re-architectured MODTRAN6 code. Our overall objective is that by combining the GPU processing with more efficient Plume Tracker retrieval algorithms, a 100-fold increase in the computational speed will be realized. Since the Plume Tracker runs on Windows-based platforms, the GPU-enhanced MODTRAN6 will be packaged as a DLL. We do however anticipate that the accelerated option will be made available to the general MODTRAN community through an application programming interface (API).

Parallel Algorithm for GPU Processing; for use in High Speed Machine Vision Sensing of Cotton Lint Trash.

PubMed

Pelletier, Mathew G

2008-02-08

One of the main hurdles standing in the way of optimal cleaning of cotton lint isthe lack of sensing systems that can react fast enough to provide the control system withreal-time information as to the level of trash contamination of the cotton lint. This researchexamines the use of programmable graphic processing units (GPU) as an alternative to thePC's traditional use of the central processing unit (CPU). The use of the GPU, as analternative computation platform, allowed for the machine vision system to gain asignificant improvement in processing time. By improving the processing time, thisresearch seeks to address the lack of availability of rapid trash sensing systems and thusalleviate a situation in which the current systems view the cotton lint either well before, orafter, the cotton is cleaned. This extended lag/lead time that is currently imposed on thecotton trash cleaning control systems, is what is responsible for system operators utilizing avery large dead-band safety buffer in order to ensure that the cotton lint is not undercleaned.Unfortunately, the utilization of a large dead-band buffer results in the majority ofthe cotton lint being over-cleaned which in turn causes lint fiber-damage as well assignificant losses of the valuable lint due to the excessive use of cleaning machinery. Thisresearch estimates that upwards of a 30% reduction in lint loss could be gained through theuse of a tightly coupled trash sensor to the cleaning machinery control systems. Thisresearch seeks to improve processing times through the development of a new algorithm forcotton trash sensing that allows for implementation on a highly parallel architecture.Additionally, by moving the new parallel algorithm onto an alternative computing platform,the graphic processing unit "GPU", for processing of the cotton trash images, a speed up ofover 6.5 times, over optimized code running on the PC's central processing unit "CPU", wasgained. The new parallel algorithm operating on the GPU was able to process a 1024x1024image in less than 17ms. At this improved speed, the image processing system's performance should now be sufficient to provide a system that would be capable of realtimefeed-back control that is in tight cooperation with the cleaning equipment.

SU-E-T-36: A GPU-Accelerated Monte-Carlo Dose Calculation Platform and Its Application Toward Validating a ViewRay Beam Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Y; Mazur, T; Green, O

Purpose: To build a fast, accurate and easily-deployable research platform for Monte-Carlo dose calculations. We port the dose calculation engine PENELOPE to C++, and accelerate calculations using GPU acceleration. Simulations of a Co-60 beam model provided by ViewRay demonstrate the capabilities of the platform. Methods: We built software that incorporates a beam model interface, CT-phantom model, GPU-accelerated PENELOPE engine, and GUI front-end. We rewrote the PENELOPE kernel in C++ (from Fortran) and accelerated the code on a GPU. We seamlessly integrated a Co-60 beam model (obtained from ViewRay) into our platform. Simulations of various field sizes and SSDs using amore » homogeneous water phantom generated PDDs, dose profiles, and output factors that were compared to experiment data. Results: With GPU acceleration using a dated graphics card (Nvidia Tesla C2050), a highly accurate simulation – including 100*100*100 grid, 3×3×3 mm3 voxels, <1% uncertainty, and 4.2×4.2 cm2 field size – runs 24 times faster (20 minutes versus 8 hours) than when parallelizing on 8 threads across a new CPU (Intel i7-4770). Simulated PDDs, profiles and output ratios for the commercial system agree well with experiment data measured using radiographic film or ionization chamber. Based on our analysis, this beam model is precise enough for general applications. Conclusions: Using a beam model for a Co-60 system provided by ViewRay, we evaluate a dose calculation platform that we developed. Comparison to measurements demonstrates the promise of our software for use as a research platform for dose calculations, with applications including quality assurance and treatment plan verification.« less

GPU Multi-Scale Particle Tracking and Multi-Fluid Simulations of the Radiation Belts

NASA Astrophysics Data System (ADS)

Ziemba, T.; Carscadden, J.; O'Donnell, D.; Winglee, R.; Harnett, E.; Cash, M.

2007-12-01

The properties of the radiation belts can vary dramatically under the influence of magnetic storms and storm-time substorms. The task of understanding and predicting radiation belt properties is made difficult because their properties determined by global processes as well as small-scale wave-particle interactions. A full solution to the problem will require major innovations in technique and computer hardware. The proposed work will demonstrates liked particle tracking codes with new multi-scale/multi-fluid global simulations that provide the first means to include small-scale processes within the global magnetospheric context. A large hurdle to the problem is having sufficient computer hardware that is able to handle the dissipate temporal and spatial scale sizes. A major innovation of the work is that the codes are designed to run of graphics processing units (GPUs). GPUs are intrinsically highly parallelized systems that provide more than an order of magnitude computing speed over a CPU based systems, for little more cost than a high end-workstation. Recent advancements in GPU technologies allow for full IEEE float specifications with performance up to several hundred GFLOPs per GPU and new software architectures have recently become available to ease the transition from graphics based to scientific applications. This allows for a cheap alternative to standard supercomputing methods and should increase the time to discovery. A demonstration of the code pushing more than 500,000 particles faster than real time is presented, and used to provide new insight into radiation belt dynamics.

GGEMS-Brachy: GPU GEant4-based Monte Carlo simulation for brachytherapy applications

NASA Astrophysics Data System (ADS)

Lemaréchal, Yannick; Bert, Julien; Falconnet, Claire; Després, Philippe; Valeri, Antoine; Schick, Ulrike; Pradier, Olivier; Garcia, Marie-Paule; Boussion, Nicolas; Visvikis, Dimitris

2015-07-01

In brachytherapy, plans are routinely calculated using the AAPM TG43 formalism which considers the patient as a simple water object. An accurate modeling of the physical processes considering patient heterogeneity using Monte Carlo simulation (MCS) methods is currently too time-consuming and computationally demanding to be routinely used. In this work we implemented and evaluated an accurate and fast MCS on Graphics Processing Units (GPU) for brachytherapy low dose rate (LDR) applications. A previously proposed Geant4 based MCS framework implemented on GPU (GGEMS) was extended to include a hybrid GPU navigator, allowing navigation within voxelized patient specific images and analytically modeled 125I seeds used in LDR brachytherapy. In addition, dose scoring based on track length estimator including uncertainty calculations was incorporated. The implemented GGEMS-brachy platform was validated using a comparison with Geant4 simulations and reference datasets. Finally, a comparative dosimetry study based on the current clinical standard (TG43) and the proposed platform was performed on twelve prostate cancer patients undergoing LDR brachytherapy. Considering patient 3D CT volumes of 400  × 250  × 65 voxels and an average of 58 implanted seeds, the mean patient dosimetry study run time for a 2% dose uncertainty was 9.35 s (≈500 ms 10-6 simulated particles) and 2.5 s when using one and four GPUs, respectively. The performance of the proposed GGEMS-brachy platform allows envisaging the use of Monte Carlo simulation based dosimetry studies in brachytherapy compatible with clinical practice. Although the proposed platform was evaluated for prostate cancer, it is equally applicable to other LDR brachytherapy clinical applications. Future extensions will allow its application in high dose rate brachytherapy applications.

High-Speed GPU-Based Fully Three-Dimensional Diffuse Optical Tomographic System

PubMed Central

Saikia, Manob Jyoti; Kanhirodan, Rajan; Mohan Vasu, Ram

2014-01-01

We have developed a graphics processor unit (GPU-) based high-speed fully 3D system for diffuse optical tomography (DOT). The reduction in execution time of 3D DOT algorithm, a severely ill-posed problem, is made possible through the use of (1) an algorithmic improvement that uses Broyden approach for updating the Jacobian matrix and thereby updating the parameter matrix and (2) the multinode multithreaded GPU and CUDA (Compute Unified Device Architecture) software architecture. Two different GPU implementations of DOT programs are developed in this study: (1) conventional C language program augmented by GPU CUDA and CULA routines (C GPU), (2) MATLAB program supported by MATLAB parallel computing toolkit for GPU (MATLAB GPU). The computation time of the algorithm on host CPU and the GPU system is presented for C and Matlab implementations. The forward computation uses finite element method (FEM) and the problem domain is discretized into 14610, 30823, and 66514 tetrahedral elements. The reconstruction time, so achieved for one iteration of the DOT reconstruction for 14610 elements, is 0.52 seconds for a C based GPU program for 2-plane measurements. The corresponding MATLAB based GPU program took 0.86 seconds. The maximum number of reconstructed frames so achieved is 2 frames per second. PMID:24891848

High-Speed GPU-Based Fully Three-Dimensional Diffuse Optical Tomographic System.

PubMed

Saikia, Manob Jyoti; Kanhirodan, Rajan; Mohan Vasu, Ram

2014-01-01

We have developed a graphics processor unit (GPU-) based high-speed fully 3D system for diffuse optical tomography (DOT). The reduction in execution time of 3D DOT algorithm, a severely ill-posed problem, is made possible through the use of (1) an algorithmic improvement that uses Broyden approach for updating the Jacobian matrix and thereby updating the parameter matrix and (2) the multinode multithreaded GPU and CUDA (Compute Unified Device Architecture) software architecture. Two different GPU implementations of DOT programs are developed in this study: (1) conventional C language program augmented by GPU CUDA and CULA routines (C GPU), (2) MATLAB program supported by MATLAB parallel computing toolkit for GPU (MATLAB GPU). The computation time of the algorithm on host CPU and the GPU system is presented for C and Matlab implementations. The forward computation uses finite element method (FEM) and the problem domain is discretized into 14610, 30823, and 66514 tetrahedral elements. The reconstruction time, so achieved for one iteration of the DOT reconstruction for 14610 elements, is 0.52 seconds for a C based GPU program for 2-plane measurements. The corresponding MATLAB based GPU program took 0.86 seconds. The maximum number of reconstructed frames so achieved is 2 frames per second.

CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models

NASA Astrophysics Data System (ADS)

Komura, Yukihiro; Okabe, Yutaka

2014-03-01

We present sample CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm. We deal with the classical spin models; the Ising model, the q-state Potts model, and the classical XY model. As for the lattice, both the 2D (square) lattice and the 3D (simple cubic) lattice are treated. We already reported the idea of the GPU implementation for 2D models (Komura and Okabe, 2012). We here explain the details of sample programs, and discuss the performance of the present GPU implementation for the 3D Ising and XY models. We also show the calculated results of the moment ratio for these models, and discuss phase transitions. Catalogue identifier: AERM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AERM_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5632 No. of bytes in distributed program, including test data, etc.: 14688 Distribution format: tar.gz Programming language: C, CUDA. Computer: System with an NVIDIA CUDA enabled GPU. Operating system: System with an NVIDIA CUDA enabled GPU. Classification: 23. External routines: NVIDIA CUDA Toolkit 3.0 or newer Nature of problem: Monte Carlo simulation of classical spin systems. Ising, q-state Potts model, and the classical XY model are treated for both two-dimensional and three-dimensional lattices. Solution method: GPU-based Swendsen-Wang multi-cluster spin flip Monte Carlo method. The CUDA implementation for the cluster-labeling is based on the work by Hawick et al. [1] and that by Kalentev et al. [2]. Restrictions: The system size is limited depending on the memory of a GPU. Running time: For the parameters used in the sample programs, it takes about a minute for each program. Of course, it depends on the system size, the number of Monte Carlo steps, etc. References: [1] K.A. Hawick, A. Leist, and D. P. Playne, Parallel Computing 36 (2010) 655-678 [2] O. Kalentev, A. Rai, S. Kemnitzb, and R. Schneider, J. Parallel Distrib. Comput. 71 (2011) 615-620

Mendel-GPU: haplotyping and genotype imputation on graphics processing units

PubMed Central

Chen, Gary K.; Wang, Kai; Stram, Alex H.; Sobel, Eric M.; Lange, Kenneth

2012-01-01

Motivation: In modern sequencing studies, one can improve the confidence of genotype calls by phasing haplotypes using information from an external reference panel of fully typed unrelated individuals. However, the computational demands are so high that they prohibit researchers with limited computational resources from haplotyping large-scale sequence data. Results: Our graphics processing unit based software delivers haplotyping and imputation accuracies comparable to competing programs at a fraction of the computational cost and peak memory demand. Availability: Mendel-GPU, our OpenCL software, runs on Linux platforms and is portable across AMD and nVidia GPUs. Users can download both code and documentation at http://code.google.com/p/mendel-gpu/. Contact: gary.k.chen@usc.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:22954633

A simple GPU-accelerated two-dimensional MUSCL-Hancock solver for ideal magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Bard, Christopher M.; Dorelli, John C.

2014-02-01

We describe our experience using NVIDIA's CUDA (Compute Unified Device Architecture) C programming environment to implement a two-dimensional second-order MUSCL-Hancock ideal magnetohydrodynamics (MHD) solver on a GTX 480 Graphics Processing Unit (GPU). Taking a simple approach in which the MHD variables are stored exclusively in the global memory of the GTX 480 and accessed in a cache-friendly manner (without further optimizing memory access by, for example, staging data in the GPU's faster shared memory), we achieved a maximum speed-up of ≈126 for a 10242 grid relative to the sequential C code running on a single Intel Nehalem (2.8 GHz) core. This speedup is consistent with simple estimates based on the known floating point performance, memory throughput and parallel processing capacity of the GTX 480.

Acceleration for 2D time-domain elastic full waveform inversion using a single GPU card

NASA Astrophysics Data System (ADS)

Jiang, Jinpeng; Zhu, Peimin

2018-05-01

Full waveform inversion (FWI) is a challenging procedure due to the high computational cost related to the modeling, especially for the elastic case. The graphics processing unit (GPU) has become a popular device for the high-performance computing (HPC). To reduce the long computation time, we design and implement the GPU-based 2D elastic FWI (EFWI) in time domain using a single GPU card. We parallelize the forward modeling and gradient calculations using the CUDA programming language. To overcome the limitation of relatively small global memory on GPU, the boundary saving strategy is exploited to reconstruct the forward wavefield. Moreover, the L-BFGS optimization method used in the inversion increases the convergence of the misfit function. A multiscale inversion strategy is performed in the workflow to obtain the accurate inversion results. In our tests, the GPU-based implementations using a single GPU device achieve >15 times speedup in forward modeling, and about 12 times speedup in gradient calculation, compared with the eight-core CPU implementations optimized by OpenMP. The test results from the GPU implementations are verified to have enough accuracy by comparing the results obtained from the CPU implementations.

Parallel Computational Protein Design.

PubMed

Zhou, Yichao; Donald, Bruce R; Zeng, Jianyang

2017-01-01

Computational structure-based protein design (CSPD) is an important problem in computational biology, which aims to design or improve a prescribed protein function based on a protein structure template. It provides a practical tool for real-world protein engineering applications. A popular CSPD method that guarantees to find the global minimum energy solution (GMEC) is to combine both dead-end elimination (DEE) and A* tree search algorithms. However, in this framework, the A* search algorithm can run in exponential time in the worst case, which may become the computation bottleneck of large-scale computational protein design process. To address this issue, we extend and add a new module to the OSPREY program that was previously developed in the Donald lab (Gainza et al., Methods Enzymol 523:87, 2013) to implement a GPU-based massively parallel A* algorithm for improving protein design pipeline. By exploiting the modern GPU computational framework and optimizing the computation of the heuristic function for A* search, our new program, called gOSPREY, can provide up to four orders of magnitude speedups in large protein design cases with a small memory overhead comparing to the traditional A* search algorithm implementation, while still guaranteeing the optimality. In addition, gOSPREY can be configured to run in a bounded-memory mode to tackle the problems in which the conformation space is too large and the global optimal solution cannot be computed previously. Furthermore, the GPU-based A* algorithm implemented in the gOSPREY program can be combined with the state-of-the-art rotamer pruning algorithms such as iMinDEE (Gainza et al., PLoS Comput Biol 8:e1002335, 2012) and DEEPer (Hallen et al., Proteins 81:18-39, 2013) to also consider continuous backbone and side-chain flexibility.

Clinical implementation of a GPU-based simplified Monte Carlo method for a treatment planning system of proton beam therapy.

PubMed

Kohno, R; Hotta, K; Nishioka, S; Matsubara, K; Tansho, R; Suzuki, T

2011-11-21

We implemented the simplified Monte Carlo (SMC) method on graphics processing unit (GPU) architecture under the computer-unified device architecture platform developed by NVIDIA. The GPU-based SMC was clinically applied for four patients with head and neck, lung, or prostate cancer. The results were compared to those obtained by a traditional CPU-based SMC with respect to the computation time and discrepancy. In the CPU- and GPU-based SMC calculations, the estimated mean statistical errors of the calculated doses in the planning target volume region were within 0.5% rms. The dose distributions calculated by the GPU- and CPU-based SMCs were similar, within statistical errors. The GPU-based SMC showed 12.30-16.00 times faster performance than the CPU-based SMC. The computation time per beam arrangement using the GPU-based SMC for the clinical cases ranged 9-67 s. The results demonstrate the successful application of the GPU-based SMC to a clinical proton treatment planning.

Pyglidein - A Simple HTCondor Glidein Service

NASA Astrophysics Data System (ADS)

Schultz, D.; Riedel, B.; Merino, G.

2017-10-01

A major challenge for data processing and analysis at the IceCube Neutrino Observatory presents itself in connecting a large set of individual clusters together to form a computing grid. Most of these clusters do not provide a “standard” grid interface. Using a local account on each submit machine, HTCondor glideins can be submitted to virtually any type of scheduler. The glideins then connect back to a main HTCondor pool, where jobs can run normally with no special syntax. To respond to dynamic load, a simple server advertises the number of idle jobs in the queue and the resources they request. The submit script can query this server to optimize glideins to what is needed, or not submit if there is no demand. Configuring HTCondor dynamic slots in the glideins allows us to efficiently handle varying memory requirements as well as whole-node jobs. One step of the IceCube simulation chain, photon propagation in the ice, heavily relies on GPUs for faster execution. Therefore, one important requirement for any workload management system in IceCube is to handle GPU resources properly. Within the pyglidein system, we have successfully configured HTCondor glideins to use any GPU allocated to it, with jobs using the standard HTCondor GPU syntax to request and use a GPU. This mechanism allows us to seamlessly integrate our local GPU cluster with remote non-Grid GPU clusters, including specially allocated resources at XSEDE supercomputers.

The novel implicit LU-SGS parallel iterative method based on the diffusion equation of a nuclear reactor on a GPU cluster

NASA Astrophysics Data System (ADS)

Zhang, Jilin; Sha, Chaoqun; Wu, Yusen; Wan, Jian; Zhou, Li; Ren, Yongjian; Si, Huayou; Yin, Yuyu; Jing, Ya

2017-02-01

GPU not only is used in the field of graphic technology but also has been widely used in areas needing a large number of numerical calculations. In the energy industry, because of low carbon, high energy density, high duration and other characteristics, the development of nuclear energy cannot easily be replaced by other energy sources. Management of core fuel is one of the major areas of concern in a nuclear power plant, and it is directly related to the economic benefits and cost of nuclear power. The large-scale reactor core expansion equation is large and complicated, so the calculation of the diffusion equation is crucial in the core fuel management process. In this paper, we use CUDA programming technology on a GPU cluster to run the LU-SGS parallel iterative calculation against the background of the diffusion equation of the reactor. We divide one-dimensional and two-dimensional mesh into a plurality of domains, with each domain evenly distributed on the GPU blocks. A parallel collision scheme is put forward that defines the virtual boundary of the grid exchange information and data transmission by non-stop collision. Compared with the serial program, the experiment shows that GPU greatly improves the efficiency of program execution and verifies that GPU is playing a much more important role in the field of numerical calculations.

SU-E-J-91: FFT Based Medical Image Registration Using a Graphics Processing Unit (GPU).

PubMed

Luce, J; Hoggarth, M; Lin, J; Block, A; Roeske, J

2012-06-01

To evaluate the efficiency gains obtained from using a Graphics Processing Unit (GPU) to perform a Fourier Transform (FT) based image registration. Fourier-based image registration involves obtaining the FT of the component images, and analyzing them in Fourier space to determine the translations and rotations of one image set relative to another. An important property of FT registration is that by enlarging the images (adding additional pixels), one can obtain translations and rotations with sub-pixel resolution. The expense, however, is an increased computational time. GPUs may decrease the computational time associated with FT image registration by taking advantage of their parallel architecture to perform matrix computations much more efficiently than a Central Processor Unit (CPU). In order to evaluate the computational gains produced by a GPU, images with known translational shifts were utilized. A program was written in the Interactive Data Language (IDL; Exelis, Boulder, CO) to performCPU-based calculations. Subsequently, the program was modified using GPU bindings (Tech-X, Boulder, CO) to perform GPU-based computation on the same system. Multiple image sizes were used, ranging from 256×256 to 2304×2304. The time required to complete the full algorithm by the CPU and GPU were benchmarked and the speed increase was defined as the ratio of the CPU-to-GPU computational time. The ratio of the CPU-to- GPU time was greater than 1.0 for all images, which indicates the GPU is performing the algorithm faster than the CPU. The smallest improvement, a 1.21 ratio, was found with the smallest image size of 256×256, and the largest speedup, a 4.25 ratio, was observed with the largest image size of 2304×2304. GPU programming resulted in a significant decrease in computational time associated with a FT image registration algorithm. The inclusion of the GPU may provide near real-time, sub-pixel registration capability. © 2012 American Association of Physicists in Medicine.

Adaptive multi-GPU Exchange Monte Carlo for the 3D Random Field Ising Model

NASA Astrophysics Data System (ADS)

Navarro, Cristóbal A.; Huang, Wei; Deng, Youjin

2016-08-01

This work presents an adaptive multi-GPU Exchange Monte Carlo approach for the simulation of the 3D Random Field Ising Model (RFIM). The design is based on a two-level parallelization. The first level, spin-level parallelism, maps the parallel computation as optimal 3D thread-blocks that simulate blocks of spins in shared memory with minimal halo surface, assuming a constant block volume. The second level, replica-level parallelism, uses multi-GPU computation to handle the simulation of an ensemble of replicas. CUDA's concurrent kernel execution feature is used in order to fill the occupancy of each GPU with many replicas, providing a performance boost that is more notorious at the smallest values of L. In addition to the two-level parallel design, the work proposes an adaptive multi-GPU approach that dynamically builds a proper temperature set free of exchange bottlenecks. The strategy is based on mid-point insertions at the temperature gaps where the exchange rate is most compromised. The extra work generated by the insertions is balanced across the GPUs independently of where the mid-point insertions were performed. Performance results show that spin-level performance is approximately two orders of magnitude faster than a single-core CPU version and one order of magnitude faster than a parallel multi-core CPU version running on 16-cores. Multi-GPU performance is highly convenient under a weak scaling setting, reaching up to 99 % efficiency as long as the number of GPUs and L increase together. The combination of the adaptive approach with the parallel multi-GPU design has extended our possibilities of simulation to sizes of L = 32 , 64 for a workstation with two GPUs. Sizes beyond L = 64 can eventually be studied using larger multi-GPU systems.

Optimizing ion channel models using a parallel genetic algorithm on graphical processors.

PubMed

Ben-Shalom, Roy; Aviv, Amit; Razon, Benjamin; Korngreen, Alon

2012-01-01

We have recently shown that we can semi-automatically constrain models of voltage-gated ion channels by combining a stochastic search algorithm with ionic currents measured using multiple voltage-clamp protocols. Although numerically successful, this approach is highly demanding computationally, with optimization on a high performance Linux cluster typically lasting several days. To solve this computational bottleneck we converted our optimization algorithm for work on a graphical processing unit (GPU) using NVIDIA's CUDA. Parallelizing the process on a Fermi graphic computing engine from NVIDIA increased the speed ∼180 times over an application running on an 80 node Linux cluster, considerably reducing simulation times. This application allows users to optimize models for ion channel kinetics on a single, inexpensive, desktop "super computer," greatly reducing the time and cost of building models relevant to neuronal physiology. We also demonstrate that the point of algorithm parallelization is crucial to its performance. We substantially reduced computing time by solving the ODEs (Ordinary Differential Equations) so as to massively reduce memory transfers to and from the GPU. This approach may be applied to speed up other data intensive applications requiring iterative solutions of ODEs. Copyright © 2012 Elsevier B.V. All rights reserved.

A real-time spike sorting method based on the embedded GPU.

PubMed

Zelan Yang; Kedi Xu; Xiang Tian; Shaomin Zhang; Xiaoxiang Zheng

2017-07-01

Microelectrode arrays with hundreds of channels have been widely used to acquire neuron population signals in neuroscience studies. Online spike sorting is becoming one of the most important challenges for high-throughput neural signal acquisition systems. Graphic processing unit (GPU) with high parallel computing capability might provide an alternative solution for increasing real-time computational demands on spike sorting. This study reported a method of real-time spike sorting through computing unified device architecture (CUDA) which was implemented on an embedded GPU (NVIDIA JETSON Tegra K1, TK1). The sorting approach is based on the principal component analysis (PCA) and K-means. By analyzing the parallelism of each process, the method was further optimized in the thread memory model of GPU. Our results showed that the GPU-based classifier on TK1 is 37.92 times faster than the MATLAB-based classifier on PC while their accuracies were the same with each other. The high-performance computing features of embedded GPU demonstrated in our studies suggested that the embedded GPU provide a promising platform for the real-time neural signal processing.

TH-A-19A-04: Latent Uncertainties and Performance of a GPU-Implemented Pre-Calculated Track Monte Carlo Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Renaud, M; Seuntjens, J; Roberge, D

Purpose: Assessing the performance and uncertainty of a pre-calculated Monte Carlo (PMC) algorithm for proton and electron transport running on graphics processing units (GPU). While PMC methods have been described in the past, an explicit quantification of the latent uncertainty arising from recycling a limited number of tracks in the pre-generated track bank is missing from the literature. With a proper uncertainty analysis, an optimal pre-generated track bank size can be selected for a desired dose calculation uncertainty. Methods: Particle tracks were pre-generated for electrons and protons using EGSnrc and GEANT4, respectively. The PMC algorithm for track transport was implementedmore » on the CUDA programming framework. GPU-PMC dose distributions were compared to benchmark dose distributions simulated using general-purpose MC codes in the same conditions. A latent uncertainty analysis was performed by comparing GPUPMC dose values to a “ground truth” benchmark while varying the track bank size and primary particle histories. Results: GPU-PMC dose distributions and benchmark doses were within 1% of each other in voxels with dose greater than 50% of Dmax. In proton calculations, a submillimeter distance-to-agreement error was observed at the Bragg Peak. Latent uncertainty followed a Poisson distribution with the number of tracks per energy (TPE) and a track bank of 20,000 TPE produced a latent uncertainty of approximately 1%. Efficiency analysis showed a 937× and 508× gain over a single processor core running DOSXYZnrc for 16 MeV electrons in water and bone, respectively. Conclusion: The GPU-PMC method can calculate dose distributions for electrons and protons to a statistical uncertainty below 1%. The track bank size necessary to achieve an optimal efficiency can be tuned based on the desired uncertainty. Coupled with a model to calculate dose contributions from uncharged particles, GPU-PMC is a candidate for inverse planning of modulated electron radiotherapy and scanned proton beams. This work was supported in part by FRSQ-MSSS (Grant No. 22090), NSERC RG (Grant No. 432290) and CIHR MOP (Grant No. MOP-211360)« less

GPU-Acceleration of Sequence Homology Searches with Database Subsequence Clustering.

PubMed

Suzuki, Shuji; Kakuta, Masanori; Ishida, Takashi; Akiyama, Yutaka

2016-01-01

Sequence homology searches are used in various fields and require large amounts of computation time, especially for metagenomic analysis, owing to the large number of queries and the database size. To accelerate computing analyses, graphics processing units (GPUs) are widely used as a low-cost, high-performance computing platform. Therefore, we mapped the time-consuming steps involved in GHOSTZ, which is a state-of-the-art homology search algorithm for protein sequences, onto a GPU and implemented it as GHOSTZ-GPU. In addition, we optimized memory access for GPU calculations and for communication between the CPU and GPU. As per results of the evaluation test involving metagenomic data, GHOSTZ-GPU with 12 CPU threads and 1 GPU was approximately 3.0- to 4.1-fold faster than GHOSTZ with 12 CPU threads. Moreover, GHOSTZ-GPU with 12 CPU threads and 3 GPUs was approximately 5.8- to 7.7-fold faster than GHOSTZ with 12 CPU threads.

Real-time visual simulation of APT system based on RTW and Vega

NASA Astrophysics Data System (ADS)

Xiong, Shuai; Fu, Chengyu; Tang, Tao

2012-10-01

The Matlab/Simulink simulation model of APT (acquisition, pointing and tracking) system is analyzed and established. Then the model's C code which can be used for real-time simulation is generated by RTW (Real-Time Workshop). Practical experiments show, the simulation result of running the C code is the same as running the Simulink model directly in the Matlab environment. MultiGen-Vega is a real-time 3D scene simulation software system. With it and OpenGL, the APT scene simulation platform is developed and used to render and display the virtual scenes of the APT system. To add some necessary graphics effects to the virtual scenes real-time, GLSL (OpenGL Shading Language) shaders are used based on programmable GPU. By calling the C code, the scene simulation platform can adjust the system parameters on-line and get APT system's real-time simulation data to drive the scenes. Practical application shows that this visual simulation platform has high efficiency, low charge and good simulation effect.

An improved non-uniformity correction algorithm and its GPU parallel implementation

NASA Astrophysics Data System (ADS)

Cheng, Kuanhong; Zhou, Huixin; Qin, Hanlin; Zhao, Dong; Qian, Kun; Rong, Shenghui

2018-05-01

The performance of SLP-THP based non-uniformity correction algorithm is seriously affected by the result of SLP filter, which always leads to image blurring and ghosting artifacts. To address this problem, an improved SLP-THP based non-uniformity correction method with curvature constraint was proposed. Here we put forward a new way to estimate spatial low frequency component. First, the details and contours of input image were obtained respectively by minimizing local Gaussian curvature and mean curvature of image surface. Then, the guided filter was utilized to combine these two parts together to get the estimate of spatial low frequency component. Finally, we brought this SLP component into SLP-THP method to achieve non-uniformity correction. The performance of proposed algorithm was verified by several real and simulated infrared image sequences. The experimental results indicated that the proposed algorithm can reduce the non-uniformity without detail losing. After that, a GPU based parallel implementation that runs 150 times faster than CPU was presented, which showed the proposed algorithm has great potential for real time application.

A Simple GPU-Accelerated Two-Dimensional MUSCL-Hancock Solver for Ideal Magnetohydrodynamics

NASA Technical Reports Server (NTRS)

Bard, Christopher; Dorelli, John C.

2013-01-01

We describe our experience using NVIDIA's CUDA (Compute Unified Device Architecture) C programming environment to implement a two-dimensional second-order MUSCL-Hancock ideal magnetohydrodynamics (MHD) solver on a GTX 480 Graphics Processing Unit (GPU). Taking a simple approach in which the MHD variables are stored exclusively in the global memory of the GTX 480 and accessed in a cache-friendly manner (without further optimizing memory access by, for example, staging data in the GPU's faster shared memory), we achieved a maximum speed-up of approx. = 126 for a sq 1024 grid relative to the sequential C code running on a single Intel Nehalem (2.8 GHz) core. This speedup is consistent with simple estimates based on the known floating point performance, memory throughput and parallel processing capacity of the GTX 480.

Acceleration of the Smith-Waterman algorithm using single and multiple graphics processors

NASA Astrophysics Data System (ADS)

Khajeh-Saeed, Ali; Poole, Stephen; Blair Perot, J.

2010-06-01

Finding regions of similarity between two very long data streams is a computationally intensive problem referred to as sequence alignment. Alignment algorithms must allow for imperfect sequence matching with different starting locations and some gaps and errors between the two data sequences. Perhaps the most well known application of sequence matching is the testing of DNA or protein sequences against genome databases. The Smith-Waterman algorithm is a method for precisely characterizing how well two sequences can be aligned and for determining the optimal alignment of those two sequences. Like many applications in computational science, the Smith-Waterman algorithm is constrained by the memory access speed and can be accelerated significantly by using graphics processors (GPUs) as the compute engine. In this work we show that effective use of the GPU requires a novel reformulation of the Smith-Waterman algorithm. The performance of this new version of the algorithm is demonstrated using the SSCA#1 (Bioinformatics) benchmark running on one GPU and on up to four GPUs executing in parallel. The results indicate that for large problems a single GPU is up to 45 times faster than a CPU for this application, and the parallel implementation shows linear speed up on up to 4 GPUs.

GRay: A Massively Parallel GPU-based Code for Ray Tracing in Relativistic Spacetimes

NASA Astrophysics Data System (ADS)

Chan, Chi-kwan; Psaltis, Dimitrios; Özel, Feryal

2013-11-01

We introduce GRay, a massively parallel integrator designed to trace the trajectories of billions of photons in a curved spacetime. This graphics-processing-unit (GPU)-based integrator employs the stream processing paradigm, is implemented in CUDA C/C++, and runs on nVidia graphics cards. The peak performance of GRay using single-precision floating-point arithmetic on a single GPU exceeds 300 GFLOP (or 1 ns per photon per time step). For a realistic problem, where the peak performance cannot be reached, GRay is two orders of magnitude faster than existing central-processing-unit-based ray-tracing codes. This performance enhancement allows more effective searches of large parameter spaces when comparing theoretical predictions of images, spectra, and light curves from the vicinities of compact objects to observations. GRay can also perform on-the-fly ray tracing within general relativistic magnetohydrodynamic algorithms that simulate accretion flows around compact objects. Making use of this algorithm, we calculate the properties of the shadows of Kerr black holes and the photon rings that surround them. We also provide accurate fitting formulae of their dependencies on black hole spin and observer inclination, which can be used to interpret upcoming observations of the black holes at the center of the Milky Way, as well as M87, with the Event Horizon Telescope.

A New Parallel Approach for Accelerating the GPU-Based Execution of Edge Detection Algorithms

PubMed Central

Emrani, Zahra; Bateni, Soroosh; Rabbani, Hossein

2017-01-01

Real-time image processing is used in a wide variety of applications like those in medical care and industrial processes. This technique in medical care has the ability to display important patient information graphi graphically, which can supplement and help the treatment process. Medical decisions made based on real-time images are more accurate and reliable. According to the recent researches, graphic processing unit (GPU) programming is a useful method for improving the speed and quality of medical image processing and is one of the ways of real-time image processing. Edge detection is an early stage in most of the image processing methods for the extraction of features and object segments from a raw image. The Canny method, Sobel and Prewitt filters, and the Roberts’ Cross technique are some examples of edge detection algorithms that are widely used in image processing and machine vision. In this work, these algorithms are implemented using the Compute Unified Device Architecture (CUDA), Open Source Computer Vision (OpenCV), and Matrix Laboratory (MATLAB) platforms. An existing parallel method for Canny approach has been modified further to run in a fully parallel manner. This has been achieved by replacing the breadth- first search procedure with a parallel method. These algorithms have been compared by testing them on a database of optical coherence tomography images. The comparison of results shows that the proposed implementation of the Canny method on GPU using the CUDA platform improves the speed of execution by 2–100× compared to the central processing unit-based implementation using the OpenCV and MATLAB platforms. PMID:28487831

A New Parallel Approach for Accelerating the GPU-Based Execution of Edge Detection Algorithms.

PubMed

Emrani, Zahra; Bateni, Soroosh; Rabbani, Hossein

2017-01-01

Real-time image processing is used in a wide variety of applications like those in medical care and industrial processes. This technique in medical care has the ability to display important patient information graphi graphically, which can supplement and help the treatment process. Medical decisions made based on real-time images are more accurate and reliable. According to the recent researches, graphic processing unit (GPU) programming is a useful method for improving the speed and quality of medical image processing and is one of the ways of real-time image processing. Edge detection is an early stage in most of the image processing methods for the extraction of features and object segments from a raw image. The Canny method, Sobel and Prewitt filters, and the Roberts' Cross technique are some examples of edge detection algorithms that are widely used in image processing and machine vision. In this work, these algorithms are implemented using the Compute Unified Device Architecture (CUDA), Open Source Computer Vision (OpenCV), and Matrix Laboratory (MATLAB) platforms. An existing parallel method for Canny approach has been modified further to run in a fully parallel manner. This has been achieved by replacing the breadth- first search procedure with a parallel method. These algorithms have been compared by testing them on a database of optical coherence tomography images. The comparison of results shows that the proposed implementation of the Canny method on GPU using the CUDA platform improves the speed of execution by 2-100× compared to the central processing unit-based implementation using the OpenCV and MATLAB platforms.

GENIE: a software package for gene-gene interaction analysis in genetic association studies using multiple GPU or CPU cores.

PubMed

Chikkagoudar, Satish; Wang, Kai; Li, Mingyao

2011-05-26

Gene-gene interaction in genetic association studies is computationally intensive when a large number of SNPs are involved. Most of the latest Central Processing Units (CPUs) have multiple cores, whereas Graphics Processing Units (GPUs) also have hundreds of cores and have been recently used to implement faster scientific software. However, currently there are no genetic analysis software packages that allow users to fully utilize the computing power of these multi-core devices for genetic interaction analysis for binary traits. Here we present a novel software package GENIE, which utilizes the power of multiple GPU or CPU processor cores to parallelize the interaction analysis. GENIE reads an entire genetic association study dataset into memory and partitions the dataset into fragments with non-overlapping sets of SNPs. For each fragment, GENIE analyzes: 1) the interaction of SNPs within it in parallel, and 2) the interaction between the SNPs of the current fragment and other fragments in parallel. We tested GENIE on a large-scale candidate gene study on high-density lipoprotein cholesterol. Using an NVIDIA Tesla C1060 graphics card, the GPU mode of GENIE achieves a speedup of 27 times over its single-core CPU mode run. GENIE is open-source, economical, user-friendly, and scalable. Since the computing power and memory capacity of graphics cards are increasing rapidly while their cost is going down, we anticipate that GENIE will achieve greater speedups with faster GPU cards. Documentation, source code, and precompiled binaries can be downloaded from http://www.cceb.upenn.edu/~mli/software/GENIE/.

GENIE: a software package for gene-gene interaction analysis in genetic association studies using multiple GPU or CPU cores

PubMed Central

2011-01-01

Background Gene-gene interaction in genetic association studies is computationally intensive when a large number of SNPs are involved. Most of the latest Central Processing Units (CPUs) have multiple cores, whereas Graphics Processing Units (GPUs) also have hundreds of cores and have been recently used to implement faster scientific software. However, currently there are no genetic analysis software packages that allow users to fully utilize the computing power of these multi-core devices for genetic interaction analysis for binary traits. Findings Here we present a novel software package GENIE, which utilizes the power of multiple GPU or CPU processor cores to parallelize the interaction analysis. GENIE reads an entire genetic association study dataset into memory and partitions the dataset into fragments with non-overlapping sets of SNPs. For each fragment, GENIE analyzes: 1) the interaction of SNPs within it in parallel, and 2) the interaction between the SNPs of the current fragment and other fragments in parallel. We tested GENIE on a large-scale candidate gene study on high-density lipoprotein cholesterol. Using an NVIDIA Tesla C1060 graphics card, the GPU mode of GENIE achieves a speedup of 27 times over its single-core CPU mode run. Conclusions GENIE is open-source, economical, user-friendly, and scalable. Since the computing power and memory capacity of graphics cards are increasing rapidly while their cost is going down, we anticipate that GENIE will achieve greater speedups with faster GPU cards. Documentation, source code, and precompiled binaries can be downloaded from http://www.cceb.upenn.edu/~mli/software/GENIE/. PMID:21615923

OCTGRAV: Sparse Octree Gravitational N-body Code on Graphics Processing Units

NASA Astrophysics Data System (ADS)

Gaburov, Evghenii; Bédorf, Jeroen; Portegies Zwart, Simon

2010-10-01

Octgrav is a very fast tree-code which runs on massively parallel Graphical Processing Units (GPU) with NVIDIA CUDA architecture. The algorithms are based on parallel-scan and sort methods. The tree-construction and calculation of multipole moments is carried out on the host CPU, while the force calculation which consists of tree walks and evaluation of interaction list is carried out on the GPU. In this way, a sustained performance of about 100GFLOP/s and data transfer rates of about 50GB/s is achieved. It takes about a second to compute forces on a million particles with an opening angle of heta approx 0.5. To test the performance and feasibility, we implemented the algorithms in CUDA in the form of a gravitational tree-code which completely runs on the GPU. The tree construction and traverse algorithms are portable to many-core devices which have support for CUDA or OpenCL programming languages. The gravitational tree-code outperforms tuned CPU code during the tree-construction and shows a performance improvement of more than a factor 20 overall, resulting in a processing rate of more than 2.8 million particles per second. The code has a convenient user interface and is freely available for use.

GPU.proton.DOCK: Genuine Protein Ultrafast proton equilibria consistent DOCKing.

PubMed

Kantardjiev, Alexander A

2011-07-01

GPU.proton.DOCK (Genuine Protein Ultrafast proton equilibria consistent DOCKing) is a state of the art service for in silico prediction of protein-protein interactions via rigorous and ultrafast docking code. It is unique in providing stringent account of electrostatic interactions self-consistency and proton equilibria mutual effects of docking partners. GPU.proton.DOCK is the first server offering such a crucial supplement to protein docking algorithms--a step toward more reliable and high accuracy docking results. The code (especially the Fast Fourier Transform bottleneck and electrostatic fields computation) is parallelized to run on a GPU supercomputer. The high performance will be of use for large-scale structural bioinformatics and systems biology projects, thus bridging physics of the interactions with analysis of molecular networks. We propose workflows for exploring in silico charge mutagenesis effects. Special emphasis is given to the interface-intuitive and user-friendly. The input is comprised of the atomic coordinate files in PDB format. The advanced user is provided with a special input section for addition of non-polypeptide charges, extra ionogenic groups with intrinsic pK(a) values or fixed ions. The output is comprised of docked complexes in PDB format as well as interactive visualization in a molecular viewer. GPU.proton.DOCK server can be accessed at http://gpudock.orgchm.bas.bg/.

GPU-based low-level trigger system for the standalone reconstruction of the ring-shaped hit patterns in the RICH Cherenkov detector of NA62 experiment

NASA Astrophysics Data System (ADS)

Ammendola, R.; Biagioni, A.; Chiozzi, S.; Cretaro, P.; Cotta Ramusino, A.; Di Lorenzo, S.; Fantechi, R.; Fiorini, M.; Frezza, O.; Gianoli, A.; Lamanna, G.; Lo Cicero, F.; Lonardo, A.; Martinelli, M.; Neri, I.; Paolucci, P. S.; Pastorelli, E.; Piandani, R.; Piccini, M.; Pontisso, L.; Rossetti, D.; Simula, F.; Sozzi, M.; Vicini, P.

2017-03-01

This project aims to exploit the parallel computing power of a commercial Graphics Processing Unit (GPU) to implement fast pattern matching in the Ring Imaging Cherenkov (RICH) detector for the level 0 (L0) trigger of the NA62 experiment. In this approach, the ring-fitting algorithm is seedless, being fed with raw RICH data, with no previous information on the ring position from other detectors. Moreover, since the L0 trigger is provided with a more elaborated information than a simple multiplicity number, it results in a higher selection power. Two methods have been studied in order to reduce the data transfer latency from the readout boards of the detector to the GPU, i.e., the use of a dedicated NIC device driver with very low latency and a direct data transfer protocol from a custom FPGA-based NIC to the GPU. The performance of the system, developed through the FPGA approach, for multi-ring Cherenkov online reconstruction obtained during the NA62 physics runs is presented.

Parallel hyperspectral image reconstruction using random projections

NASA Astrophysics Data System (ADS)

Sevilla, Jorge; Martín, Gabriel; Nascimento, José M. P.

2016-10-01

Spaceborne sensors systems are characterized by scarce onboard computing and storage resources and by communication links with reduced bandwidth. Random projections techniques have been demonstrated as an effective and very light way to reduce the number of measurements in hyperspectral data, thus, the data to be transmitted to the Earth station is reduced. However, the reconstruction of the original data from the random projections may be computationally expensive. SpeCA is a blind hyperspectral reconstruction technique that exploits the fact that hyperspectral vectors often belong to a low dimensional subspace. SpeCA has shown promising results in the task of recovering hyperspectral data from a reduced number of random measurements. In this manuscript we focus on the implementation of the SpeCA algorithm for graphics processing units (GPU) using the compute unified device architecture (CUDA). Experimental results conducted using synthetic and real hyperspectral datasets on the GPU architecture by NVIDIA: GeForce GTX 980, reveal that the use of GPUs can provide real-time reconstruction. The achieved speedup is up to 22 times when compared with the processing time of SpeCA running on one core of the Intel i7-4790K CPU (3.4GHz), with 32 Gbyte memory.

Towards real-time photon Monte Carlo dose calculation in the cloud

NASA Astrophysics Data System (ADS)

Ziegenhein, Peter; Kozin, Igor N.; Kamerling, Cornelis Ph; Oelfke, Uwe

2017-06-01

Near real-time application of Monte Carlo (MC) dose calculation in clinic and research is hindered by the long computational runtimes of established software. Currently, fast MC software solutions are available utilising accelerators such as graphical processing units (GPUs) or clusters based on central processing units (CPUs). Both platforms are expensive in terms of purchase costs and maintenance and, in case of the GPU, provide only limited scalability. In this work we propose a cloud-based MC solution, which offers high scalability of accurate photon dose calculations. The MC simulations run on a private virtual supercomputer that is formed in the cloud. Computational resources can be provisioned dynamically at low cost without upfront investment in expensive hardware. A client-server software solution has been developed which controls the simulations and transports data to and from the cloud efficiently and securely. The client application integrates seamlessly into a treatment planning system. It runs the MC simulation workflow automatically and securely exchanges simulation data with the server side application that controls the virtual supercomputer. Advanced encryption standards were used to add an additional security layer, which encrypts and decrypts patient data on-the-fly at the processor register level. We could show that our cloud-based MC framework enables near real-time dose computation. It delivers excellent linear scaling for high-resolution datasets with absolute runtimes of 1.1 seconds to 10.9 seconds for simulating a clinical prostate and liver case up to 1% statistical uncertainty. The computation runtimes include the transportation of data to and from the cloud as well as process scheduling and synchronisation overhead. Cloud-based MC simulations offer a fast, affordable and easily accessible alternative for near real-time accurate dose calculations to currently used GPU or cluster solutions.

Towards real-time photon Monte Carlo dose calculation in the cloud.

PubMed

Ziegenhein, Peter; Kozin, Igor N; Kamerling, Cornelis Ph; Oelfke, Uwe

2017-06-07

Near real-time application of Monte Carlo (MC) dose calculation in clinic and research is hindered by the long computational runtimes of established software. Currently, fast MC software solutions are available utilising accelerators such as graphical processing units (GPUs) or clusters based on central processing units (CPUs). Both platforms are expensive in terms of purchase costs and maintenance and, in case of the GPU, provide only limited scalability. In this work we propose a cloud-based MC solution, which offers high scalability of accurate photon dose calculations. The MC simulations run on a private virtual supercomputer that is formed in the cloud. Computational resources can be provisioned dynamically at low cost without upfront investment in expensive hardware. A client-server software solution has been developed which controls the simulations and transports data to and from the cloud efficiently and securely. The client application integrates seamlessly into a treatment planning system. It runs the MC simulation workflow automatically and securely exchanges simulation data with the server side application that controls the virtual supercomputer. Advanced encryption standards were used to add an additional security layer, which encrypts and decrypts patient data on-the-fly at the processor register level. We could show that our cloud-based MC framework enables near real-time dose computation. It delivers excellent linear scaling for high-resolution datasets with absolute runtimes of 1.1 seconds to 10.9 seconds for simulating a clinical prostate and liver case up to 1% statistical uncertainty. The computation runtimes include the transportation of data to and from the cloud as well as process scheduling and synchronisation overhead. Cloud-based MC simulations offer a fast, affordable and easily accessible alternative for near real-time accurate dose calculations to currently used GPU or cluster solutions.

Compute-unified device architecture implementation of a block-matching algorithm for multiple graphical processing unit cards

PubMed Central

Massanes, Francesc; Cadennes, Marie; Brankov, Jovan G.

2012-01-01

In this paper we describe and evaluate a fast implementation of a classical block matching motion estimation algorithm for multiple Graphical Processing Units (GPUs) using the Compute Unified Device Architecture (CUDA) computing engine. The implemented block matching algorithm (BMA) uses summed absolute difference (SAD) error criterion and full grid search (FS) for finding optimal block displacement. In this evaluation we compared the execution time of a GPU and CPU implementation for images of various sizes, using integer and non-integer search grids. The results show that use of a GPU card can shorten computation time by a factor of 200 times for integer and 1000 times for a non-integer search grid. The additional speedup for non-integer search grid comes from the fact that GPU has built-in hardware for image interpolation. Further, when using multiple GPU cards, the presented evaluation shows the importance of the data splitting method across multiple cards, but an almost linear speedup with a number of cards is achievable. In addition we compared execution time of the proposed FS GPU implementation with two existing, highly optimized non-full grid search CPU based motion estimations methods, namely implementation of the Pyramidal Lucas Kanade Optical flow algorithm in OpenCV and Simplified Unsymmetrical multi-Hexagon search in H.264/AVC standard. In these comparisons, FS GPU implementation still showed modest improvement even though the computational complexity of FS GPU implementation is substantially higher than non-FS CPU implementation. We also demonstrated that for an image sequence of 720×480 pixels in resolution, commonly used in video surveillance, the proposed GPU implementation is sufficiently fast for real-time motion estimation at 30 frames-per-second using two NVIDIA C1060 Tesla GPU cards. PMID:22347787

Compute-unified device architecture implementation of a block-matching algorithm for multiple graphical processing unit cards.

PubMed

Massanes, Francesc; Cadennes, Marie; Brankov, Jovan G

2011-07-01

In this paper we describe and evaluate a fast implementation of a classical block matching motion estimation algorithm for multiple Graphical Processing Units (GPUs) using the Compute Unified Device Architecture (CUDA) computing engine. The implemented block matching algorithm (BMA) uses summed absolute difference (SAD) error criterion and full grid search (FS) for finding optimal block displacement. In this evaluation we compared the execution time of a GPU and CPU implementation for images of various sizes, using integer and non-integer search grids.The results show that use of a GPU card can shorten computation time by a factor of 200 times for integer and 1000 times for a non-integer search grid. The additional speedup for non-integer search grid comes from the fact that GPU has built-in hardware for image interpolation. Further, when using multiple GPU cards, the presented evaluation shows the importance of the data splitting method across multiple cards, but an almost linear speedup with a number of cards is achievable.In addition we compared execution time of the proposed FS GPU implementation with two existing, highly optimized non-full grid search CPU based motion estimations methods, namely implementation of the Pyramidal Lucas Kanade Optical flow algorithm in OpenCV and Simplified Unsymmetrical multi-Hexagon search in H.264/AVC standard. In these comparisons, FS GPU implementation still showed modest improvement even though the computational complexity of FS GPU implementation is substantially higher than non-FS CPU implementation.We also demonstrated that for an image sequence of 720×480 pixels in resolution, commonly used in video surveillance, the proposed GPU implementation is sufficiently fast for real-time motion estimation at 30 frames-per-second using two NVIDIA C1060 Tesla GPU cards.

GPU-Acceleration of Sequence Homology Searches with Database Subsequence Clustering

PubMed Central

Suzuki, Shuji; Kakuta, Masanori; Ishida, Takashi; Akiyama, Yutaka

2016-01-01

Sequence homology searches are used in various fields and require large amounts of computation time, especially for metagenomic analysis, owing to the large number of queries and the database size. To accelerate computing analyses, graphics processing units (GPUs) are widely used as a low-cost, high-performance computing platform. Therefore, we mapped the time-consuming steps involved in GHOSTZ, which is a state-of-the-art homology search algorithm for protein sequences, onto a GPU and implemented it as GHOSTZ-GPU. In addition, we optimized memory access for GPU calculations and for communication between the CPU and GPU. As per results of the evaluation test involving metagenomic data, GHOSTZ-GPU with 12 CPU threads and 1 GPU was approximately 3.0- to 4.1-fold faster than GHOSTZ with 12 CPU threads. Moreover, GHOSTZ-GPU with 12 CPU threads and 3 GPUs was approximately 5.8- to 7.7-fold faster than GHOSTZ with 12 CPU threads. PMID:27482905

Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations

PubMed Central

Hallock, Michael J.; Stone, John E.; Roberts, Elijah; Fry, Corey; Luthey-Schulten, Zaida

2014-01-01

Simulation of in vivo cellular processes with the reaction-diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel e ciency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli. Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems. PMID:24882911

Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations.

PubMed

Hallock, Michael J; Stone, John E; Roberts, Elijah; Fry, Corey; Luthey-Schulten, Zaida

2014-05-01

Simulation of in vivo cellular processes with the reaction-diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel e ciency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli . Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems.

A fast parallel clustering algorithm for molecular simulation trajectories.

PubMed

Zhao, Yutong; Sheong, Fu Kit; Sun, Jian; Sander, Pedro; Huang, Xuhui

2013-01-15

We implemented a GPU-powered parallel k-centers algorithm to perform clustering on the conformations of molecular dynamics (MD) simulations. The algorithm is up to two orders of magnitude faster than the CPU implementation. We tested our algorithm on four protein MD simulation datasets ranging from the small Alanine Dipeptide to a 370-residue Maltose Binding Protein (MBP). It is capable of grouping 250,000 conformations of the MBP into 4000 clusters within 40 seconds. To achieve this, we effectively parallelized the code on the GPU and utilize the triangle inequality of metric spaces. Furthermore, the algorithm's running time is linear with respect to the number of cluster centers. In addition, we found the triangle inequality to be less effective in higher dimensions and provide a mathematical rationale. Finally, using Alanine Dipeptide as an example, we show a strong correlation between cluster populations resulting from the k-centers algorithm and the underlying density. © 2012 Wiley Periodicals, Inc. Copyright © 2012 Wiley Periodicals, Inc.

Efficiency of analytical and sampling-based uncertainty propagation in intensity-modulated proton therapy

NASA Astrophysics Data System (ADS)

Wahl, N.; Hennig, P.; Wieser, H. P.; Bangert, M.

2017-07-01

The sensitivity of intensity-modulated proton therapy (IMPT) treatment plans to uncertainties can be quantified and mitigated with robust/min-max and stochastic/probabilistic treatment analysis and optimization techniques. Those methods usually rely on sparse random, importance, or worst-case sampling. Inevitably, this imposes a trade-off between computational speed and accuracy of the uncertainty propagation. Here, we investigate analytical probabilistic modeling (APM) as an alternative for uncertainty propagation and minimization in IMPT that does not rely on scenario sampling. APM propagates probability distributions over range and setup uncertainties via a Gaussian pencil-beam approximation into moments of the probability distributions over the resulting dose in closed form. It supports arbitrary correlation models and allows for efficient incorporation of fractionation effects regarding random and systematic errors. We evaluate the trade-off between run-time and accuracy of APM uncertainty computations on three patient datasets. Results are compared against reference computations facilitating importance and random sampling. Two approximation techniques to accelerate uncertainty propagation and minimization based on probabilistic treatment plan optimization are presented. Runtimes are measured on CPU and GPU platforms, dosimetric accuracy is quantified in comparison to a sampling-based benchmark (5000 random samples). APM accurately propagates range and setup uncertainties into dose uncertainties at competitive run-times (GPU ≤slant {5} min). The resulting standard deviation (expectation value) of dose show average global γ{3% / {3}~mm} pass rates between 94.2% and 99.9% (98.4% and 100.0%). All investigated importance sampling strategies provided less accuracy at higher run-times considering only a single fraction. Considering fractionation, APM uncertainty propagation and treatment plan optimization was proven to be possible at constant time complexity, while run-times of sampling-based computations are linear in the number of fractions. Using sum sampling within APM, uncertainty propagation can only be accelerated at the cost of reduced accuracy in variance calculations. For probabilistic plan optimization, we were able to approximate the necessary pre-computations within seconds, yielding treatment plans of similar quality as gained from exact uncertainty propagation. APM is suited to enhance the trade-off between speed and accuracy in uncertainty propagation and probabilistic treatment plan optimization, especially in the context of fractionation. This brings fully-fledged APM computations within reach of clinical application.

Efficiency of analytical and sampling-based uncertainty propagation in intensity-modulated proton therapy.

PubMed

Wahl, N; Hennig, P; Wieser, H P; Bangert, M

2017-06-26

The sensitivity of intensity-modulated proton therapy (IMPT) treatment plans to uncertainties can be quantified and mitigated with robust/min-max and stochastic/probabilistic treatment analysis and optimization techniques. Those methods usually rely on sparse random, importance, or worst-case sampling. Inevitably, this imposes a trade-off between computational speed and accuracy of the uncertainty propagation. Here, we investigate analytical probabilistic modeling (APM) as an alternative for uncertainty propagation and minimization in IMPT that does not rely on scenario sampling. APM propagates probability distributions over range and setup uncertainties via a Gaussian pencil-beam approximation into moments of the probability distributions over the resulting dose in closed form. It supports arbitrary correlation models and allows for efficient incorporation of fractionation effects regarding random and systematic errors. We evaluate the trade-off between run-time and accuracy of APM uncertainty computations on three patient datasets. Results are compared against reference computations facilitating importance and random sampling. Two approximation techniques to accelerate uncertainty propagation and minimization based on probabilistic treatment plan optimization are presented. Runtimes are measured on CPU and GPU platforms, dosimetric accuracy is quantified in comparison to a sampling-based benchmark (5000 random samples). APM accurately propagates range and setup uncertainties into dose uncertainties at competitive run-times (GPU [Formula: see text] min). The resulting standard deviation (expectation value) of dose show average global [Formula: see text] pass rates between 94.2% and 99.9% (98.4% and 100.0%). All investigated importance sampling strategies provided less accuracy at higher run-times considering only a single fraction. Considering fractionation, APM uncertainty propagation and treatment plan optimization was proven to be possible at constant time complexity, while run-times of sampling-based computations are linear in the number of fractions. Using sum sampling within APM, uncertainty propagation can only be accelerated at the cost of reduced accuracy in variance calculations. For probabilistic plan optimization, we were able to approximate the necessary pre-computations within seconds, yielding treatment plans of similar quality as gained from exact uncertainty propagation. APM is suited to enhance the trade-off between speed and accuracy in uncertainty propagation and probabilistic treatment plan optimization, especially in the context of fractionation. This brings fully-fledged APM computations within reach of clinical application.

Current and Future Applications of Machine Learning for the US Army

DTIC Science & Technology

2018-04-13

designing from the unwieldy application of the first principles of flight controls, aerodynamics, blade propulsion, and so on, the designers turned...when the number of features runs into millions can become challenging. To overcome these issues, regularization techniques have been developed which...and compiled to run efficiently on either CPU or GPU architectures. 5) Keras63 is a library that contains numerous implementations of commonly used

GPU-accelerated simulations of isolated black holes

NASA Astrophysics Data System (ADS)

Lewis, Adam G. M.; Pfeiffer, Harald P.

2018-05-01

We present a port of the numerical relativity code SpEC which is capable of running on NVIDIA GPUs. Since this code must be maintained in parallel with SpEC itself, a primary design consideration is to perform as few explicit code changes as possible. We therefore rely on a hierarchy of automated porting strategies. At the highest level we use TLoops, a C++ library of our design, to automatically emit CUDA code equivalent to tensorial expressions written into C++ source using a syntax similar to analytic calculation. Next, we trace out and cache explicit matrix representations of the numerous linear transformations in the SpEC code, which allows these to be performed on the GPU using pre-existing matrix-multiplication libraries. We port the few remaining important modules by hand. In this paper we detail the specifics of our port, and present benchmarks of it simulating isolated black hole spacetimes on several generations of NVIDIA GPU.

SU-F-BRF-01: A GPU Framework for Developing Interactive High-Resolution Patient-Specific Biomechanical Models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neylon, J; Qi, S; Sheng, K

2014-06-15

Purpose: To develop a GPU-based framework that can generate highresolution and patient-specific biomechanical models from a given simulation CT and contoured structures, optimized to run at interactive speeds, for addressing adaptive radiotherapy objectives. Method: A Massspring-damping (MSD) model was generated from a given simulation CT. The model's mass elements were generated for every voxel of anatomy, and positioned in a deformation space in the GPU memory. MSD connections were established between neighboring mass elements in a dense distribution. Contoured internal structures allowed control over elastic material properties of different tissues. Once the model was initialized in GPU memory, skeletal anatomymore » was actuated using rigid-body transformations, while soft tissues were governed by elastic corrective forces and constraints, which included tensile forces, shear forces, and spring damping forces. The model was validated by applying a known load to a soft tissue block and comparing the observed deformation to ground truth calculations from established elastic mechanics. Results: Our analyses showed that both local and global load experiments yielded results with a correlation coefficient R{sup 2} > 0.98 compared to ground truth. Models were generated for several anatomical regions. Head and neck models accurately simulated posture changes by rotating the skeletal anatomy in three dimensions. Pelvic models were developed for realistic deformations for changes in bladder volume. Thoracic models demonstrated breast deformation due to gravity when changing treatment position from supine to prone. The GPU framework performed at greater than 30 iterations per second for over 1 million mass elements with up to 26 MSD connections each. Conclusions: Realistic simulations of site-specific, complex posture and physiological changes were simulated at interactive speeds using patient data. Incorporating such a model with live patient tracking would facilitate real time assessment of variations of the actual anatomy and delivered dose for adaptive intervention and re-planning.« less

Real-time motion compensated patient positioning and non-rigid deformation estimation using 4-D shape priors.

PubMed

Wasza, Jakob; Bauer, Sebastian; Hornegger, Joachim

2012-01-01

Over the last years, range imaging (RI) techniques have been proposed for patient positioning and respiration analysis in motion compensation. Yet, current RI based approaches for patient positioning employ rigid-body transformations, thus neglecting free-form deformations induced by respiratory motion. Furthermore, RI based respiration analysis relies on non-rigid registration techniques with run-times of several seconds. In this paper we propose a real-time framework based on RI to perform respiratory motion compensated positioning and non-rigid surface deformation estimation in a joint manner. The core of our method are pre-procedurally obtained 4-D shape priors that drive the intra-procedural alignment of the patient to the reference state, simultaneously yielding a rigid-body table transformation and a free-form deformation accounting for respiratory motion. We show that our method outperforms conventional alignment strategies by a factor of 3.0 and 2.3 in the rotation and translation accuracy, respectively. Using a GPU based implementation, we achieve run-times of 40 ms.

GPU Computing in Bayesian Inference of Realized Stochastic Volatility Model

NASA Astrophysics Data System (ADS)

Takaishi, Tetsuya

2015-01-01

The realized stochastic volatility (RSV) model that utilizes the realized volatility as additional information has been proposed to infer volatility of financial time series. We consider the Bayesian inference of the RSV model by the Hybrid Monte Carlo (HMC) algorithm. The HMC algorithm can be parallelized and thus performed on the GPU for speedup. The GPU code is developed with CUDA Fortran. We compare the computational time in performing the HMC algorithm on GPU (GTX 760) and CPU (Intel i7-4770 3.4GHz) and find that the GPU can be up to 17 times faster than the CPU. We also code the program with OpenACC and find that appropriate coding can achieve the similar speedup with CUDA Fortran.

Accelerating Spaceborne SAR Imaging Using Multiple CPU/GPU Deep Collaborative Computing

PubMed Central

Zhang, Fan; Li, Guojun; Li, Wei; Hu, Wei; Hu, Yuxin

2016-01-01

With the development of synthetic aperture radar (SAR) technologies in recent years, the huge amount of remote sensing data brings challenges for real-time imaging processing. Therefore, high performance computing (HPC) methods have been presented to accelerate SAR imaging, especially the GPU based methods. In the classical GPU based imaging algorithm, GPU is employed to accelerate image processing by massive parallel computing, and CPU is only used to perform the auxiliary work such as data input/output (IO). However, the computing capability of CPU is ignored and underestimated. In this work, a new deep collaborative SAR imaging method based on multiple CPU/GPU is proposed to achieve real-time SAR imaging. Through the proposed tasks partitioning and scheduling strategy, the whole image can be generated with deep collaborative multiple CPU/GPU computing. In the part of CPU parallel imaging, the advanced vector extension (AVX) method is firstly introduced into the multi-core CPU parallel method for higher efficiency. As for the GPU parallel imaging, not only the bottlenecks of memory limitation and frequent data transferring are broken, but also kinds of optimized strategies are applied, such as streaming, parallel pipeline and so on. Experimental results demonstrate that the deep CPU/GPU collaborative imaging method enhances the efficiency of SAR imaging on single-core CPU by 270 times and realizes the real-time imaging in that the imaging rate outperforms the raw data generation rate. PMID:27070606

Accelerating Spaceborne SAR Imaging Using Multiple CPU/GPU Deep Collaborative Computing.

PubMed

Zhang, Fan; Li, Guojun; Li, Wei; Hu, Wei; Hu, Yuxin

2016-04-07

With the development of synthetic aperture radar (SAR) technologies in recent years, the huge amount of remote sensing data brings challenges for real-time imaging processing. Therefore, high performance computing (HPC) methods have been presented to accelerate SAR imaging, especially the GPU based methods. In the classical GPU based imaging algorithm, GPU is employed to accelerate image processing by massive parallel computing, and CPU is only used to perform the auxiliary work such as data input/output (IO). However, the computing capability of CPU is ignored and underestimated. In this work, a new deep collaborative SAR imaging method based on multiple CPU/GPU is proposed to achieve real-time SAR imaging. Through the proposed tasks partitioning and scheduling strategy, the whole image can be generated with deep collaborative multiple CPU/GPU computing. In the part of CPU parallel imaging, the advanced vector extension (AVX) method is firstly introduced into the multi-core CPU parallel method for higher efficiency. As for the GPU parallel imaging, not only the bottlenecks of memory limitation and frequent data transferring are broken, but also kinds of optimized strategies are applied, such as streaming, parallel pipeline and so on. Experimental results demonstrate that the deep CPU/GPU collaborative imaging method enhances the efficiency of SAR imaging on single-core CPU by 270 times and realizes the real-time imaging in that the imaging rate outperforms the raw data generation rate.

BROCCOLI: Software for fast fMRI analysis on many-core CPUs and GPUs

PubMed Central

Eklund, Anders; Dufort, Paul; Villani, Mattias; LaConte, Stephen

2014-01-01

Analysis of functional magnetic resonance imaging (fMRI) data is becoming ever more computationally demanding as temporal and spatial resolutions improve, and large, publicly available data sets proliferate. Moreover, methodological improvements in the neuroimaging pipeline, such as non-linear spatial normalization, non-parametric permutation tests and Bayesian Markov Chain Monte Carlo approaches, can dramatically increase the computational burden. Despite these challenges, there do not yet exist any fMRI software packages which leverage inexpensive and powerful graphics processing units (GPUs) to perform these analyses. Here, we therefore present BROCCOLI, a free software package written in OpenCL (Open Computing Language) that can be used for parallel analysis of fMRI data on a large variety of hardware configurations. BROCCOLI has, for example, been tested with an Intel CPU, an Nvidia GPU, and an AMD GPU. These tests show that parallel processing of fMRI data can lead to significantly faster analysis pipelines. This speedup can be achieved on relatively standard hardware, but further, dramatic speed improvements require only a modest investment in GPU hardware. BROCCOLI (running on a GPU) can perform non-linear spatial normalization to a 1 mm3 brain template in 4–6 s, and run a second level permutation test with 10,000 permutations in about a minute. These non-parametric tests are generally more robust than their parametric counterparts, and can also enable more sophisticated analyses by estimating complicated null distributions. Additionally, BROCCOLI includes support for Bayesian first-level fMRI analysis using a Gibbs sampler. The new software is freely available under GNU GPL3 and can be downloaded from github (https://github.com/wanderine/BROCCOLI/). PMID:24672471

Development of a GPU Compatible Version of the Fast Radiation Code RRTMG

NASA Astrophysics Data System (ADS)

Iacono, M. J.; Mlawer, E. J.; Berthiaume, D.; Cady-Pereira, K. E.; Suarez, M.; Oreopoulos, L.; Lee, D.

2012-12-01

The absorption of solar radiation and emission/absorption of thermal radiation are crucial components of the physics that drive Earth's climate and weather. Therefore, accurate radiative transfer calculations are necessary for realistic climate and weather simulations. Efficient radiation codes have been developed for this purpose, but their accuracy requirements still necessitate that as much as 30% of the computational time of a GCM is spent computing radiative fluxes and heating rates. The overall computational expense constitutes a limitation on a GCM's predictive ability if it becomes an impediment to adding new physics to or increasing the spatial and/or vertical resolution of the model. The emergence of Graphics Processing Unit (GPU) technology, which will allow the parallel computation of multiple independent radiative calculations in a GCM, will lead to a fundamental change in the competition between accuracy and speed. Processing time previously consumed by radiative transfer will now be available for the modeling of other processes, such as physics parameterizations, without any sacrifice in the accuracy of the radiative transfer. Furthermore, fast radiation calculations can be performed much more frequently and will allow the modeling of radiative effects of rapid changes in the atmosphere. The fast radiation code RRTMG, developed at Atmospheric and Environmental Research (AER), is utilized operationally in many dynamical models throughout the world. We will present the results from the first stage of an effort to create a version of the RRTMG radiation code designed to run efficiently in a GPU environment. This effort will focus on the RRTMG implementation in GEOS-5. RRTMG has an internal pseudo-spectral vector of length of order 100 that, when combined with the much greater length of the global horizontal grid vector from which the radiation code is called in GEOS-5, makes RRTMG/GEOS-5 particularly suited to achieving a significant speed improvement through GPU technology. This large number of independent cases will allow us to take full advantage of the computational power of the latest GPUs, ensuring that all thread cores in the GPU remain active, a key criterion for obtaining significant speedup. The CUDA (Compute Unified Device Architecture) Fortran compiler developed by PGI and Nvidia will allow us to construct this parallel implementation on the GPU while remaining in the Fortran language. This implementation will scale very well across various CUDA-supported GPUs such as the recently released Fermi Nvidia cards. We will present the computational speed improvements of the GPU-compatible code relative to the standard CPU-based RRTMG with respect to a very large and diverse suite of atmospheric profiles. This suite will also be utilized to demonstrate the minimal impact of the code restructuring on the accuracy of radiation calculations. The GPU-compatible version of RRTMG will be directly applicable to future versions of GEOS-5, but it is also likely to provide significant associated benefits for other GCMs that employ RRTMG.

Lossless data compression for improving the performance of a GPU-based beamformer.

PubMed

Lok, U-Wai; Fan, Gang-Wei; Li, Pai-Chi

2015-04-01

The powerful parallel computation ability of a graphics processing unit (GPU) makes it feasible to perform dynamic receive beamforming However, a real time GPU-based beamformer requires high data rate to transfer radio-frequency (RF) data from hardware to software memory, as well as from central processing unit (CPU) to GPU memory. There are data compression methods (e.g. Joint Photographic Experts Group (JPEG)) available for the hardware front end to reduce data size, alleviating the data transfer requirement of the hardware interface. Nevertheless, the required decoding time may even be larger than the transmission time of its original data, in turn degrading the overall performance of the GPU-based beamformer. This article proposes and implements a lossless compression-decompression algorithm, which enables in parallel compression and decompression of data. By this means, the data transfer requirement of hardware interface and the transmission time of CPU to GPU data transfers are reduced, without sacrificing image quality. In simulation results, the compression ratio reached around 1.7. The encoder design of our lossless compression approach requires low hardware resources and reasonable latency in a field programmable gate array. In addition, the transmission time of transferring data from CPU to GPU with the parallel decoding process improved by threefold, as compared with transferring original uncompressed data. These results show that our proposed lossless compression plus parallel decoder approach not only mitigate the transmission bandwidth requirement to transfer data from hardware front end to software system but also reduce the transmission time for CPU to GPU data transfer. © The Author(s) 2014.

A fast three-dimensional gamma evaluation using a GPU utilizing texture memory for on-the-fly interpolations.

PubMed

Persoon, Lucas C G G; Podesta, Mark; van Elmpt, Wouter J C; Nijsten, Sebastiaan M J J G; Verhaegen, Frank

2011-07-01

A widely accepted method to quantify differences in dose distributions is the gamma (gamma) evaluation. Currently, almost all gamma implementations utilize the central processing unit (CPU). Recently, the graphics processing unit (GPU) has become a powerful platform for specific computing tasks. In this study, we describe the implementation of a 3D gamma evaluation using a GPU to improve calculation time. The gamma evaluation algorithm was implemented on an NVIDIA Tesla C2050 GPU using the compute unified device architecture (CUDA). First, several cubic virtual phantoms were simulated. These phantoms were tested with varying dose cube sizes and set-ups, introducing artificial dose differences. Second, to show applicability in clinical practice, five patient cases have been evaluated using the 3D dose distribution from a treatment planning system as the reference and the delivered dose determined during treatment as the comparison. A calculation time comparison between the CPU and GPU was made with varying thread-block sizes including the option of using texture or global memory. A GPU over CPU speed-up of 66 +/- 12 was achieved for the virtual phantoms. For the patient cases, a speed-up of 57 +/- 15 using the GPU was obtained. A thread-block size of 16 x 16 performed best in all cases. The use of texture memory improved the total calculation time, especially when interpolation was applied. Differences between the CPU and GPU gammas were negligible. The GPU and its features, such as texture memory, decreased the calculation time for gamma evaluations considerably without loss of accuracy.

Real-time object detection and semantic segmentation for autonomous driving

NASA Astrophysics Data System (ADS)

Li, Baojun; Liu, Shun; Xu, Weichao; Qiu, Wei

2018-02-01

In this paper, we proposed a Highly Coupled Network (HCNet) for joint objection detection and semantic segmentation. It follows that our method is faster and performs better than the previous approaches whose decoder networks of different tasks are independent. Besides, we present multi-scale loss architecture to learn better representation for different scale objects, but without extra time in the inference phase. Experiment results show that our method achieves state-of-the-art results on the KITTI datasets. Moreover, it can run at 35 FPS on a GPU and thus is a practical solution to object detection and semantic segmentation for autonomous driving.

WARP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergmann, Ryan M.; Rowland, Kelly L.

2017-04-12

WARP, which can stand for ``Weaving All the Random Particles,'' is a three-dimensional (3D) continuous energy Monte Carlo neutron transport code developed at UC Berkeley to efficiently execute on NVIDIA graphics processing unit (GPU) platforms. WARP accelerates Monte Carlo simulations while preserving the benefits of using the Monte Carlo method, namely, that very few physical and geometrical simplifications are applied. WARP is able to calculate multiplication factors, neutron flux distributions (in both space and energy), and fission source distributions for time-independent neutron transport problems. It can run in both criticality or fixed source modes, but fixed source mode is currentlymore » not robust, optimized, or maintained in the newest version. WARP can transport neutrons in unrestricted arrangements of parallelepipeds, hexagonal prisms, cylinders, and spheres. The goal of developing WARP is to investigate algorithms that can grow into a full-featured, continuous energy, Monte Carlo neutron transport code that is accelerated by running on GPUs. The crux of the effort is to make Monte Carlo calculations faster while producing accurate results. Modern supercomputers are commonly being built with GPU coprocessor cards in their nodes to increase their computational efficiency and performance. GPUs execute efficiently on data-parallel problems, but most CPU codes, including those for Monte Carlo neutral particle transport, are predominantly task-parallel. WARP uses a data-parallel neutron transport algorithm to take advantage of the computing power GPUs offer.« less

Acoustic reverse-time migration using GPU card and POSIX thread based on the adaptive optimal finite-difference scheme and the hybrid absorbing boundary condition

NASA Astrophysics Data System (ADS)

Cai, Xiaohui; Liu, Yang; Ren, Zhiming

2018-06-01

Reverse-time migration (RTM) is a powerful tool for imaging geologically complex structures such as steep-dip and subsalt. However, its implementation is quite computationally expensive. Recently, as a low-cost solution, the graphic processing unit (GPU) was introduced to improve the efficiency of RTM. In the paper, we develop three ameliorative strategies to implement RTM on GPU card. First, given the high accuracy and efficiency of the adaptive optimal finite-difference (FD) method based on least squares (LS) on central processing unit (CPU), we study the optimal LS-based FD method on GPU. Second, we develop the CPU-based hybrid absorbing boundary condition (ABC) to the GPU-based one by addressing two issues of the former when introduced to GPU card: time-consuming and chaotic threads. Third, for large-scale data, the combinatorial strategy for optimal checkpointing and efficient boundary storage is introduced for the trade-off between memory and recomputation. To save the time of communication between host and disk, the portable operating system interface (POSIX) thread is utilized to create the other CPU core at the checkpoints. Applications of the three strategies on GPU with the compute unified device architecture (CUDA) programming language in RTM demonstrate their efficiency and validity.

GPU-based prompt gamma ray imaging from boron neutron capture therapy.

PubMed

Yoon, Do-Kun; Jung, Joo-Young; Jo Hong, Key; Sil Lee, Keum; Suk Suh, Tae

2015-01-01

The purpose of this research is to perform the fast reconstruction of a prompt gamma ray image using a graphics processing unit (GPU) computation from boron neutron capture therapy (BNCT) simulations. To evaluate the accuracy of the reconstructed image, a phantom including four boron uptake regions (BURs) was used in the simulation. After the Monte Carlo simulation of the BNCT, the modified ordered subset expectation maximization reconstruction algorithm using the GPU computation was used to reconstruct the images with fewer projections. The computation times for image reconstruction were compared between the GPU and the central processing unit (CPU). Also, the accuracy of the reconstructed image was evaluated by a receiver operating characteristic (ROC) curve analysis. The image reconstruction time using the GPU was 196 times faster than the conventional reconstruction time using the CPU. For the four BURs, the area under curve values from the ROC curve were 0.6726 (A-region), 0.6890 (B-region), 0.7384 (C-region), and 0.8009 (D-region). The tomographic image using the prompt gamma ray event from the BNCT simulation was acquired using the GPU computation in order to perform a fast reconstruction during treatment. The authors verified the feasibility of the prompt gamma ray image reconstruction using the GPU computation for BNCT simulations.

cuTauLeaping: A GPU-Powered Tau-Leaping Stochastic Simulator for Massive Parallel Analyses of Biological Systems

PubMed Central

Besozzi, Daniela; Pescini, Dario; Mauri, Giancarlo

2014-01-01

Tau-leaping is a stochastic simulation algorithm that efficiently reconstructs the temporal evolution of biological systems, modeled according to the stochastic formulation of chemical kinetics. The analysis of dynamical properties of these systems in physiological and perturbed conditions usually requires the execution of a large number of simulations, leading to high computational costs. Since each simulation can be executed independently from the others, a massive parallelization of tau-leaping can bring to relevant reductions of the overall running time. The emerging field of General Purpose Graphic Processing Units (GPGPU) provides power-efficient high-performance computing at a relatively low cost. In this work we introduce cuTauLeaping, a stochastic simulator of biological systems that makes use of GPGPU computing to execute multiple parallel tau-leaping simulations, by fully exploiting the Nvidia's Fermi GPU architecture. We show how a considerable computational speedup is achieved on GPU by partitioning the execution of tau-leaping into multiple separated phases, and we describe how to avoid some implementation pitfalls related to the scarcity of memory resources on the GPU streaming multiprocessors. Our results show that cuTauLeaping largely outperforms the CPU-based tau-leaping implementation when the number of parallel simulations increases, with a break-even directly depending on the size of the biological system and on the complexity of its emergent dynamics. In particular, cuTauLeaping is exploited to investigate the probability distribution of bistable states in the Schlögl model, and to carry out a bidimensional parameter sweep analysis to study the oscillatory regimes in the Ras/cAMP/PKA pathway in S. cerevisiae. PMID:24663957

Design and Implementation of High-Performance GIS Dynamic Objects Rendering Engine

NASA Astrophysics Data System (ADS)

Zhong, Y.; Wang, S.; Li, R.; Yun, W.; Song, G.

2017-12-01

Spatio-temporal dynamic visualization is more vivid than static visualization. It important to use dynamic visualization techniques to reveal the variation process and trend vividly and comprehensively for the geographical phenomenon. To deal with challenges caused by dynamic visualization of both 2D and 3D spatial dynamic targets, especially for different spatial data types require high-performance GIS dynamic objects rendering engine. The main approach for improving the rendering engine with vast dynamic targets relies on key technologies of high-performance GIS, including memory computing, parallel computing, GPU computing and high-performance algorisms. In this study, high-performance GIS dynamic objects rendering engine is designed and implemented for solving the problem based on hybrid accelerative techniques. The high-performance GIS rendering engine contains GPU computing, OpenGL technology, and high-performance algorism with the advantage of 64-bit memory computing. It processes 2D, 3D dynamic target data efficiently and runs smoothly with vast dynamic target data. The prototype system of high-performance GIS dynamic objects rendering engine is developed based SuperMap GIS iObjects. The experiments are designed for large-scale spatial data visualization, the results showed that the high-performance GIS dynamic objects rendering engine have the advantage of high performance. Rendering two-dimensional and three-dimensional dynamic objects achieve 20 times faster on GPU than on CPU.

GRay: A MASSIVELY PARALLEL GPU-BASED CODE FOR RAY TRACING IN RELATIVISTIC SPACETIMES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, Chi-kwan; Psaltis, Dimitrios; Özel, Feryal

We introduce GRay, a massively parallel integrator designed to trace the trajectories of billions of photons in a curved spacetime. This graphics-processing-unit (GPU)-based integrator employs the stream processing paradigm, is implemented in CUDA C/C++, and runs on nVidia graphics cards. The peak performance of GRay using single-precision floating-point arithmetic on a single GPU exceeds 300 GFLOP (or 1 ns per photon per time step). For a realistic problem, where the peak performance cannot be reached, GRay is two orders of magnitude faster than existing central-processing-unit-based ray-tracing codes. This performance enhancement allows more effective searches of large parameter spaces when comparingmore » theoretical predictions of images, spectra, and light curves from the vicinities of compact objects to observations. GRay can also perform on-the-fly ray tracing within general relativistic magnetohydrodynamic algorithms that simulate accretion flows around compact objects. Making use of this algorithm, we calculate the properties of the shadows of Kerr black holes and the photon rings that surround them. We also provide accurate fitting formulae of their dependencies on black hole spin and observer inclination, which can be used to interpret upcoming observations of the black holes at the center of the Milky Way, as well as M87, with the Event Horizon Telescope.« less

XaNSoNS: GPU-accelerated simulator of diffraction patterns of nanoparticles

NASA Astrophysics Data System (ADS)

Neverov, V. S.

XaNSoNS is an open source software with GPU support, which simulates X-ray and neutron 1D (or 2D) diffraction patterns and pair-distribution functions (PDF) for amorphous or crystalline nanoparticles (up to ∼107 atoms) of heterogeneous structural content. Among the multiple parameters of the structure the user may specify atomic displacements, site occupancies, molecular displacements and molecular rotations. The software uses general equations nonspecific to crystalline structures to calculate the scattering intensity. It supports four major standards of parallel computing: MPI, OpenMP, Nvidia CUDA and OpenCL, enabling it to run on various architectures, from CPU-based HPCs to consumer-level GPUs.

Application of a GPU-Assisted Maxwell Code to Electromagnetic Wave Propagation in ITER

NASA Astrophysics Data System (ADS)

Kubota, S.; Peebles, W. A.; Woodbury, D.; Johnson, I.; Zolfaghari, A.

2014-10-01

The Low Field Side Reflectometer (LSFR) on ITER is envisioned to provide capabilities for electron density profile and fluctuations measurements in both the plasma core and edge. The current design for the Equatorial Port Plug 11 (EPP11) employs seven monostatic antennas for use with both fixed-frequency and swept-frequency systems. The present work examines the characteristics of this layout using the 3-D version of the GPU-Assisted Maxwell Code (GAMC-3D). Previous studies in this area were performed with either 2-D full wave codes or 3-D ray- and beam-tracing. GAMC-3D is based on the FDTD method and can be run with either a fixed-frequency or modulated (e.g. FMCW) source, and with either a stationary or moving target (e.g. Doppler backscattering). The code is designed to run on a single NVIDIA Tesla GPU accelerator, and utilizes a technique based on the moving window method to overcome the size limitation of the onboard memory. Effects such as beam drift, linear mode conversion, and diffraction/scattering will be examined. Comparisons will be made with beam-tracing calculations using the complex eikonal method. Supported by U.S. DoE Grants DE-FG02-99ER54527 and DE-AC02-09CH11466, and the DoE SULI Program at PPPL.

GPU-accelerated phase-field simulation of dendritic solidification in a binary alloy

NASA Astrophysics Data System (ADS)

Yamanaka, Akinori; Aoki, Takayuki; Ogawa, Satoi; Takaki, Tomohiro

2011-03-01

The phase-field simulation for dendritic solidification of a binary alloy has been accelerated by using a graphic processing unit (GPU). To perform the phase-field simulation of the alloy solidification on GPU, a program code was developed with computer unified device architecture (CUDA). In this paper, the implementation technique of the phase-field model on GPU is presented. Also, we evaluated the acceleration performance of the three-dimensional solidification simulation by using a single NVIDIA TESLA C1060 GPU and the developed program code. The results showed that the GPU calculation for 5763 computational grids achieved the performance of 170 GFLOPS by utilizing the shared memory as a software-managed cache. Furthermore, it can be demonstrated that the computation with the GPU is 100 times faster than that with a single CPU core. From the obtained results, we confirmed the feasibility of realizing a real-time full three-dimensional phase-field simulation of microstructure evolution on a personal desktop computer.

Multi-GPU hybrid programming accelerated three-dimensional phase-field model in binary alloy

NASA Astrophysics Data System (ADS)

Zhu, Changsheng; Liu, Jieqiong; Zhu, Mingfang; Feng, Li

2018-03-01

In the process of dendritic growth simulation, the computational efficiency and the problem scales have extremely important influence on simulation efficiency of three-dimensional phase-field model. Thus, seeking for high performance calculation method to improve the computational efficiency and to expand the problem scales has a great significance to the research of microstructure of the material. A high performance calculation method based on MPI+CUDA hybrid programming model is introduced. Multi-GPU is used to implement quantitative numerical simulations of three-dimensional phase-field model in binary alloy under the condition of multi-physical processes coupling. The acceleration effect of different GPU nodes on different calculation scales is explored. On the foundation of multi-GPU calculation model that has been introduced, two optimization schemes, Non-blocking communication optimization and overlap of MPI and GPU computing optimization, are proposed. The results of two optimization schemes and basic multi-GPU model are compared. The calculation results show that the use of multi-GPU calculation model can improve the computational efficiency of three-dimensional phase-field obviously, which is 13 times to single GPU, and the problem scales have been expanded to 8193. The feasibility of two optimization schemes is shown, and the overlap of MPI and GPU computing optimization has better performance, which is 1.7 times to basic multi-GPU model, when 21 GPUs are used.

An Approach in Radiation Therapy Treatment Planning: A Fast, GPU-Based Monte Carlo Method.

PubMed

Karbalaee, Mojtaba; Shahbazi-Gahrouei, Daryoush; Tavakoli, Mohammad B

2017-01-01

An accurate and fast radiation dose calculation is essential for successful radiation radiotherapy. The aim of this study was to implement a new graphic processing unit (GPU) based radiation therapy treatment planning for accurate and fast dose calculation in radiotherapy centers. A program was written for parallel running based on GPU. The code validation was performed by EGSnrc/DOSXYZnrc. Moreover, a semi-automatic, rotary, asymmetric phantom was designed and produced using a bone, the lung, and the soft tissue equivalent materials. All measurements were performed using a Mapcheck dosimeter. The accuracy of the code was validated using the experimental data, which was obtained from the anthropomorphic phantom as the gold standard. The findings showed that, compared with those of DOSXYZnrc in the virtual phantom and for most of the voxels (>95%), <3% dose-difference or 3 mm distance-to-agreement (DTA) was found. Moreover, considering the anthropomorphic phantom, compared to the Mapcheck dose measurements, <5% dose-difference or 5 mm DTA was observed. Fast calculation speed and high accuracy of GPU-based Monte Carlo method in dose calculation may be useful in routine radiation therapy centers as the core and main component of a treatment planning verification system.

Grace: A cross-platform micromagnetic simulator on graphics processing units

NASA Astrophysics Data System (ADS)

Zhu, Ru

2015-12-01

A micromagnetic simulator running on graphics processing units (GPUs) is presented. Different from GPU implementations of other research groups which are predominantly running on NVidia's CUDA platform, this simulator is developed with C++ Accelerated Massive Parallelism (C++ AMP) and is hardware platform independent. It runs on GPUs from venders including NVidia, AMD and Intel, and achieves significant performance boost as compared to previous central processing unit (CPU) simulators, up to two orders of magnitude. The simulator paved the way for running large size micromagnetic simulations on both high-end workstations with dedicated graphics cards and low-end personal computers with integrated graphics cards, and is freely available to download.

Extreme-Scale Stochastic Particle Tracing for Uncertain Unsteady Flow Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Hanqi; He, Wenbin; Seo, Sangmin

2016-11-13

We present an efficient and scalable solution to estimate uncertain transport behaviors using stochastic flow maps (SFM,) for visualizing and analyzing uncertain unsteady flows. SFM computation is extremely expensive because it requires many Monte Carlo runs to trace densely seeded particles in the flow. We alleviate the computational cost by decoupling the time dependencies in SFMs so that we can process adjacent time steps independently and then compose them together for longer time periods. Adaptive refinement is also used to reduce the number of runs for each location. We then parallelize over tasks—packets of particles in our design—to achieve highmore » efficiency in MPI/thread hybrid programming. Such a task model also enables CPU/GPU coprocessing. We show the scalability on two supercomputers, Mira (up to 1M Blue Gene/Q cores) and Titan (up to 128K Opteron cores and 8K GPUs), that can trace billions of particles in seconds.« less

NVIDIA OptiX ray-tracing engine as a new tool for modelling medical imaging systems

NASA Astrophysics Data System (ADS)

Pietrzak, Jakub; Kacperski, Krzysztof; Cieślar, Marek

2015-03-01

The most accurate technique to model the X- and gamma radiation path through a numerically defined object is the Monte Carlo simulation which follows single photons according to their interaction probabilities. A simplified and much faster approach, which just integrates total interaction probabilities along selected paths, is known as ray tracing. Both techniques are used in medical imaging for simulating real imaging systems and as projectors required in iterative tomographic reconstruction algorithms. These approaches are ready for massive parallel implementation e.g. on Graphics Processing Units (GPU), which can greatly accelerate the computation time at a relatively low cost. In this paper we describe the application of the NVIDIA OptiX ray-tracing engine, popular in professional graphics and rendering applications, as a new powerful tool for X- and gamma ray-tracing in medical imaging. It allows the implementation of a variety of physical interactions of rays with pixel-, mesh- or nurbs-based objects, and recording any required quantities, like path integrals, interaction sites, deposited energies, and others. Using the OptiX engine we have implemented a code for rapid Monte Carlo simulations of Single Photon Emission Computed Tomography (SPECT) imaging, as well as the ray-tracing projector, which can be used in reconstruction algorithms. The engine generates efficient, scalable and optimized GPU code, ready to run on multi GPU heterogeneous systems. We have compared the results our simulations with the GATE package. With the OptiX engine the computation time of a Monte Carlo simulation can be reduced from days to minutes.

GPU-Meta-Storms: computing the structure similarities among massive amount of microbial community samples using GPU.

PubMed

Su, Xiaoquan; Wang, Xuetao; Jing, Gongchao; Ning, Kang

2014-04-01

The number of microbial community samples is increasing with exponential speed. Data-mining among microbial community samples could facilitate the discovery of valuable biological information that is still hidden in the massive data. However, current methods for the comparison among microbial communities are limited by their ability to process large amount of samples each with complex community structure. We have developed an optimized GPU-based software, GPU-Meta-Storms, to efficiently measure the quantitative phylogenetic similarity among massive amount of microbial community samples. Our results have shown that GPU-Meta-Storms would be able to compute the pair-wise similarity scores for 10 240 samples within 20 min, which gained a speed-up of >17 000 times compared with single-core CPU, and >2600 times compared with 16-core CPU. Therefore, the high-performance of GPU-Meta-Storms could facilitate in-depth data mining among massive microbial community samples, and make the real-time analysis and monitoring of temporal or conditional changes for microbial communities possible. GPU-Meta-Storms is implemented by CUDA (Compute Unified Device Architecture) and C++. Source code is available at http://www.computationalbioenergy.org/meta-storms.html.

The Research and Test of Fast Radio Burst Real-time Search Algorithm Based on GPU Acceleration

NASA Astrophysics Data System (ADS)

Wang, J.; Chen, M. Z.; Pei, X.; Wang, Z. Q.

2017-03-01

In order to satisfy the research needs of Nanshan 25 m radio telescope of Xinjiang Astronomical Observatory (XAO) and study the key technology of the planned QiTai radio Telescope (QTT), the receiver group of XAO studied the GPU (Graphics Processing Unit) based real-time FRB searching algorithm which developed from the original FRB searching algorithm based on CPU (Central Processing Unit), and built the FRB real-time searching system. The comparison of the GPU system and the CPU system shows that: on the basis of ensuring the accuracy of the search, the speed of the GPU accelerated algorithm is improved by 35-45 times compared with the CPU algorithm.

GPUbased, Microsecond Latency, HectoChannel MIMO Feedback Control of Magnetically Confined Plasmas

NASA Astrophysics Data System (ADS)

Rath, Nikolaus

Feedback control has become a crucial tool in the research on magnetic confinement of plasmas for achieving controlled nuclear fusion. This thesis presents a novel plasma feedback control system that, for the first time, employs a Graphics Processing Unit (GPU) for microsecond-latency, real-time control computations. This novel application area for GPU computing is opened up by a new system architecture that is optimized for low-latency computations on less than kilobyte sized data samples as they occur in typical plasma control algorithms. In contrast to traditional GPU computing approaches that target complex, high-throughput computations with massive amounts of data, the architecture presented in this thesis uses the GPU as the primary processing unit rather than as an auxiliary of the CPU, and data is transferred from A-D/D-A converters directly into GPU memory using peer-to-peer PCI Express transfers. The described design has been implemented in a new, GPU-based control system for the High-Beta Tokamak - Extended Pulse (HBT-EP) device. The system is built from commodity hardware and uses an NVIDIA GeForce GPU and D-TACQ A-D/D-A converters providing a total of 96 input and 64 output channels. The system is able to run with sampling periods down to 4 μs and latencies down to 8 μs. The GPU provides a total processing power of 1.5 x 1012 floating point operations per second. To illustrate the performance and versatility of both the general architecture and concrete implementation, a new control algorithm has been developed. The algorithm is designed for the control of multiple rotating magnetic perturbations in situations where the plasma equilibrium is not known exactly and features an adaptive system model: instead of requiring the rotation frequencies and growth rates embedded in the system model to be set a priori, the adaptive algorithm derives these parameters from the evolution of the perturbation amplitudes themselves. This results in non-linear control computations with high computational demands, but is handled easily by the GPU based system. Both digital processing latency and an arbitrary multi-pole response of amplifiers and control coils is fully taken into account for the generation of control signals. To separate sensor signals into perturbed and equilibrium components without knowledge of the equilibrium fields, a new separation method based on biorthogonal decomposition is introduced and used to derive a filter that performs the separation in real-time. The control algorithm has been implemented and tested on the new, GPU-based feedback control system of the HBT-EP tokamak. In this instance, the algorithm was set up to control four rotating n = 1 perturbations at different poloidal angles. The perturbations were treated as coupled in frequency but independent in amplitude and phase, so that the system effectively controls a helical n = 1 perturbation with unknown poloidal spectrum. Depending on the plasma's edge safety factor and rotation frequency, the control system is shown to be able to suppress the amplitude of the dominant 8 kHz mode by up to 60% or amplify the saturated amplitude by a factor of up to two. Intermediate feedback phases combine suppression and amplification with a speed up or slow down of the mode rotation frequency. Increasing feedback gain results in the excitation of an additional, slowly rotating 1.4 kHz mode without further effects on the 8 kHz mode. The feedback performance is found to exceed previous results obtained with an FPGA- and Kalman-filter based control system without requiring any tuning of system model parameters. Experimental results are compared with simulations based on a combination of the Boozer surface current model and the Fitzpatrick-Aydemir model. Within the subset of phenomena that can be represented by the model as well as determined experimentally, qualitative agreement is found.

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

Multi-GPU accelerated three-dimensional FDTD method for electromagnetic simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2011-01-01

Numerical simulation with a numerical human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the numerical human model, we adapt three-dimensional FDTD code to a multi-GPU environment using Compute Unified Device Architecture (CUDA). In this study, we used NVIDIA Tesla C2070 as GPGPU boards. The performance of multi-GPU is evaluated in comparison with that of a single GPU and vector supercomputer. The calculation speed with four GPUs was approximately 3.5 times faster than with a single GPU, and was slightly (approx. 1.3 times) slower than with the supercomputer. Calculation speed of the three-dimensional FDTD method using GPUs can significantly improve with an expanding number of GPUs.

A GPU-based symmetric non-rigid image registration method in human lung.

PubMed

Haghighi, Babak; D Ellingwood, Nathan; Yin, Youbing; Hoffman, Eric A; Lin, Ching-Long

2018-03-01

Quantitative computed tomography (QCT) of the lungs plays an increasing role in identifying sub-phenotypes of pathologies previously lumped into broad categories such as chronic obstructive pulmonary disease and asthma. Methods for image matching and linking multiple lung volumes have proven useful in linking structure to function and in the identification of regional longitudinal changes. Here, we seek to improve the accuracy of image matching via the use of a symmetric multi-level non-rigid registration employing an inverse consistent (IC) transformation whereby images are registered both in the forward and reverse directions. To develop the symmetric method, two similarity measures, the sum of squared intensity difference (SSD) and the sum of squared tissue volume difference (SSTVD), were used. The method is based on a novel generic mathematical framework to include forward and backward transformations, simultaneously, eliminating the need to compute the inverse transformation. Two implementations were used to assess the proposed method: a two-dimensional (2-D) implementation using synthetic examples with SSD, and a multi-core CPU and graphics processing unit (GPU) implementation with SSTVD for three-dimensional (3-D) human lung datasets (six normal adults studied at total lung capacity (TLC) and functional residual capacity (FRC)). Success was evaluated in terms of the IC transformation consistency serving to link TLC to FRC. 2-D registration on synthetic images, using both symmetric and non-symmetric SSD methods, and comparison of displacement fields showed that the symmetric method gave a symmetrical grid shape and reduced IC errors, with the mean values of IC errors decreased by 37%. Results for both symmetric and non-symmetric transformations of human datasets showed that the symmetric method gave better results for IC errors in all cases, with mean values of IC errors for the symmetric method lower than the non-symmetric methods using both SSD and SSTVD. The GPU version demonstrated an average of 43 times speedup and ~5.2 times speedup over the single-threaded and 12-threaded CPU versions, respectively. Run times with the GPU were as fast as 2 min. The symmetric method improved the inverse consistency, aiding the use of image registration in the QCT-based evaluation of the lung.

A fast - Monte Carlo toolkit on GPU for treatment plan dose recalculation in proton therapy

NASA Astrophysics Data System (ADS)

Senzacqua, M.; Schiavi, A.; Patera, V.; Pioli, S.; Battistoni, G.; Ciocca, M.; Mairani, A.; Magro, G.; Molinelli, S.

2017-10-01

In the context of the particle therapy a crucial role is played by Treatment Planning Systems (TPSs), tools aimed to compute and optimize the tratment plan. Nowadays one of the major issues related to the TPS in particle therapy is the large CPU time needed. We developed a software toolkit (FRED) for reducing dose recalculation time by exploiting Graphics Processing Units (GPU) hardware. Thanks to their high parallelization capability, GPUs significantly reduce the computation time, up to factor 100 respect to a standard CPU running software. The transport of proton beams in the patient is accurately described through Monte Carlo methods. Physical processes reproduced are: Multiple Coulomb Scattering, energy straggling and nuclear interactions of protons with the main nuclei composing the biological tissues. FRED toolkit does not rely on the water equivalent translation of tissues, but exploits the Computed Tomography anatomical information by reconstructing and simulating the atomic composition of each crossed tissue. FRED can be used as an efficient tool for dose recalculation, on the day of the treatment. In fact it can provide in about one minute on standard hardware the dose map obtained combining the treatment plan, earlier computed by the TPS, and the current patient anatomic arrangement.

GPU-based prompt gamma ray imaging from boron neutron capture therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoon, Do-Kun; Jung, Joo-Young; Suk Suh, Tae, E-mail: suhsanta@catholic.ac.kr

Purpose: The purpose of this research is to perform the fast reconstruction of a prompt gamma ray image using a graphics processing unit (GPU) computation from boron neutron capture therapy (BNCT) simulations. Methods: To evaluate the accuracy of the reconstructed image, a phantom including four boron uptake regions (BURs) was used in the simulation. After the Monte Carlo simulation of the BNCT, the modified ordered subset expectation maximization reconstruction algorithm using the GPU computation was used to reconstruct the images with fewer projections. The computation times for image reconstruction were compared between the GPU and the central processing unit (CPU).more » Also, the accuracy of the reconstructed image was evaluated by a receiver operating characteristic (ROC) curve analysis. Results: The image reconstruction time using the GPU was 196 times faster than the conventional reconstruction time using the CPU. For the four BURs, the area under curve values from the ROC curve were 0.6726 (A-region), 0.6890 (B-region), 0.7384 (C-region), and 0.8009 (D-region). Conclusions: The tomographic image using the prompt gamma ray event from the BNCT simulation was acquired using the GPU computation in order to perform a fast reconstruction during treatment. The authors verified the feasibility of the prompt gamma ray image reconstruction using the GPU computation for BNCT simulations.« less

TU-FG-BRB-07: GPU-Based Prompt Gamma Ray Imaging From Boron Neutron Capture Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, S; Suh, T; Yoon, D

Purpose: The purpose of this research is to perform the fast reconstruction of a prompt gamma ray image using a graphics processing unit (GPU) computation from boron neutron capture therapy (BNCT) simulations. Methods: To evaluate the accuracy of the reconstructed image, a phantom including four boron uptake regions (BURs) was used in the simulation. After the Monte Carlo simulation of the BNCT, the modified ordered subset expectation maximization reconstruction algorithm using the GPU computation was used to reconstruct the images with fewer projections. The computation times for image reconstruction were compared between the GPU and the central processing unit (CPU).more » Also, the accuracy of the reconstructed image was evaluated by a receiver operating characteristic (ROC) curve analysis. Results: The image reconstruction time using the GPU was 196 times faster than the conventional reconstruction time using the CPU. For the four BURs, the area under curve values from the ROC curve were 0.6726 (A-region), 0.6890 (B-region), 0.7384 (C-region), and 0.8009 (D-region). Conclusion: The tomographic image using the prompt gamma ray event from the BNCT simulation was acquired using the GPU computation in order to perform a fast reconstruction during treatment. The authors verified the feasibility of the prompt gamma ray reconstruction using the GPU computation for BNCT simulations.« less

Parallel hyperbolic PDE simulation on clusters: Cell versus GPU

NASA Astrophysics Data System (ADS)

Rostrup, Scott; De Sterck, Hans

2010-12-01

Increasingly, high-performance computing is looking towards data-parallel computational devices to enhance computational performance. Two technologies that have received significant attention are IBM's Cell Processor and NVIDIA's CUDA programming model for graphics processing unit (GPU) computing. In this paper we investigate the acceleration of parallel hyperbolic partial differential equation simulation on structured grids with explicit time integration on clusters with Cell and GPU backends. The message passing interface (MPI) is used for communication between nodes at the coarsest level of parallelism. Optimizations of the simulation code at the several finer levels of parallelism that the data-parallel devices provide are described in terms of data layout, data flow and data-parallel instructions. Optimized Cell and GPU performance are compared with reference code performance on a single x86 central processing unit (CPU) core in single and double precision. We further compare the CPU, Cell and GPU platforms on a chip-to-chip basis, and compare performance on single cluster nodes with two CPUs, two Cell processors or two GPUs in a shared memory configuration (without MPI). We finally compare performance on clusters with 32 CPUs, 32 Cell processors, and 32 GPUs using MPI. Our GPU cluster results use NVIDIA Tesla GPUs with GT200 architecture, but some preliminary results on recently introduced NVIDIA GPUs with the next-generation Fermi architecture are also included. This paper provides computational scientists and engineers who are considering porting their codes to accelerator environments with insight into how structured grid based explicit algorithms can be optimized for clusters with Cell and GPU accelerators. It also provides insight into the speed-up that may be gained on current and future accelerator architectures for this class of applications. Program summaryProgram title: SWsolver Catalogue identifier: AEGY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL v3 No. of lines in distributed program, including test data, etc.: 59 168 No. of bytes in distributed program, including test data, etc.: 453 409 Distribution format: tar.gz Programming language: C, CUDA Computer: Parallel Computing Clusters. Individual compute nodes may consist of x86 CPU, Cell processor, or x86 CPU with attached NVIDIA GPU accelerator. Operating system: Linux Has the code been vectorised or parallelized?: Yes. Tested on 1-128 x86 CPU cores, 1-32 Cell Processors, and 1-32 NVIDIA GPUs. RAM: Tested on Problems requiring up to 4 GB per compute node. Classification: 12 External routines: MPI, CUDA, IBM Cell SDK Nature of problem: MPI-parallel simulation of Shallow Water equations using high-resolution 2D hyperbolic equation solver on regular Cartesian grids for x86 CPU, Cell Processor, and NVIDIA GPU using CUDA. Solution method: SWsolver provides 3 implementations of a high-resolution 2D Shallow Water equation solver on regular Cartesian grids, for CPU, Cell Processor, and NVIDIA GPU. Each implementation uses MPI to divide work across a parallel computing cluster. Additional comments: Sub-program numdiff is used for the test run.

Thread scheduling for GPU-based OPC simulation on multi-thread

NASA Astrophysics Data System (ADS)

Lee, Heejun; Kim, Sangwook; Hong, Jisuk; Lee, Sooryong; Han, Hwansoo

2018-03-01

As semiconductor product development based on shrinkage continues, the accuracy and difficulty required for the model based optical proximity correction (MBOPC) is increasing. OPC simulation time, which is the most timeconsuming part of MBOPC, is rapidly increasing due to high pattern density in a layout and complex OPC model. To reduce OPC simulation time, we attempt to apply graphic processing unit (GPU) to MBOPC because OPC process is good to be programmed in parallel. We address some issues that may typically happen during GPU-based OPC simulation in multi thread system, such as "out of memory" and "GPU idle time". To overcome these problems, we propose a thread scheduling method, which manages OPC jobs in multiple threads in such a way that simulations jobs from multiple threads are alternatively executed on GPU while correction jobs are executed at the same time in each CPU cores. It was observed that the amount of GPU peak memory usage decreases by up to 35%, and MBOPC runtime also decreases by 4%. In cases where out of memory issues occur in a multi-threaded environment, the thread scheduler was used to improve MBOPC runtime up to 23%.

GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

NASA Astrophysics Data System (ADS)

Gong, Chunye; Liu, Jie; Chi, Lihua; Huang, Haowei; Fang, Jingyue; Gong, Zhenghu

2011-07-01

Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates ( Sn) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.

The GPU implementation of micro - Doppler period estimation

NASA Astrophysics Data System (ADS)

Yang, Liyuan; Wang, Junling; Bi, Ran

2018-03-01

Aiming at the problem that the computational complexity and the deficiency of real-time of the wideband radar echo signal, a program is designed to improve the performance of real-time extraction of micro-motion feature in this paper based on the CPU-GPU heterogeneous parallel structure. Firstly, we discuss the principle of the micro-Doppler effect generated by the rolling of the scattering points on the orbiting satellite, analyses how to use Kalman filter to compensate the translational motion of tumbling satellite and how to use the joint time-frequency analysis and inverse Radon transform to extract the micro-motion features from the echo after compensation. Secondly, the advantages of GPU in terms of real-time processing and the working principle of CPU-GPU heterogeneous parallelism are analysed, and a program flow based on GPU to extract the micro-motion feature from the radar echo signal of rolling satellite is designed. At the end of the article the results of extraction are given to verify the correctness of the program and algorithm.

Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: A GPU-accelerated molecular dynamics software

NASA Astrophysics Data System (ADS)

Yang, Lin; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Travesset, Alex

2018-04-01

We present an implementation of EAM and FS interatomic potentials, which are widely used in simulating metallic systems, in HOOMD-blue, a software designed to perform classical molecular dynamics simulations using GPU accelerations. We first discuss the details of our implementation and then report extensive benchmark tests. We demonstrate that single-precision floating point operations efficiently implemented on GPUs can produce sufficient accuracy when compared against double-precision codes, as demonstrated in test simulations of calculations of the glass-transition temperature of Cu64.5Zr35.5, and pair correlation function g (r) of liquid Ni3Al. Our code scales well with the size of the simulating system on NVIDIA Tesla M40 and P100 GPUs. Compared with another popular software LAMMPS running on 32 cores of AMD Opteron 6220 processors, the GPU/CPU performance ratio can reach as high as 4.6. The source code can be accessed through the HOOMD-blue web page for free by any interested user.

Real-time time-division color electroholography using a single GPU and a USB module for synchronizing reference light.

PubMed

Araki, Hiromitsu; Takada, Naoki; Niwase, Hiroaki; Ikawa, Shohei; Fujiwara, Masato; Nakayama, Hirotaka; Kakue, Takashi; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

2015-12-01

We propose real-time time-division color electroholography using a single graphics processing unit (GPU) and a simple synchronization system of reference light. To facilitate real-time time-division color electroholography, we developed a light emitting diode (LED) controller with a universal serial bus (USB) module and the drive circuit for reference light. A one-chip RGB LED connected to a personal computer via an LED controller was used as the reference light. A single GPU calculates three computer-generated holograms (CGHs) suitable for red, green, and blue colors in each frame of a three-dimensional (3D) movie. After CGH calculation using a single GPU, the CPU can synchronize the CGH display with the color switching of the one-chip RGB LED via the LED controller. Consequently, we succeeded in real-time time-division color electroholography for a 3D object consisting of around 1000 points per color when an NVIDIA GeForce GTX TITAN was used as the GPU. Furthermore, we implemented the proposed method in various GPUs. The experimental results showed that the proposed method was effective for various GPUs.

Real-time two-dimensional temperature imaging using ultrasound.

PubMed

Liu, Dalong; Ebbini, Emad S

2009-01-01

We present a system for real-time 2D imaging of temperature change in tissue media using pulse-echo ultrasound. The frontend of the system is a SonixRP ultrasound scanner with a research interface giving us the capability of controlling the beam sequence and accessing radio frequency (RF) data in real-time. The beamformed RF data is streamlined to the backend of the system, where the data is processed using a two-dimensional temperature estimation algorithm running in the graphics processing unit (GPU). The estimated temperature is displayed in real-time providing feedback that can be used for real-time control of the heating source. Currently we have verified our system with elastography tissue mimicking phantom and in vitro porcine heart tissue, excellent repeatability and sensitivity were demonstrated.

gpuPOM: a GPU-based Princeton Ocean Model

NASA Astrophysics Data System (ADS)

Xu, S.; Huang, X.; Zhang, Y.; Fu, H.; Oey, L.-Y.; Xu, F.; Yang, G.

2014-11-01

Rapid advances in the performance of the graphics processing unit (GPU) have made the GPU a compelling solution for a series of scientific applications. However, most existing GPU acceleration works for climate models are doing partial code porting for certain hot spots, and can only achieve limited speedup for the entire model. In this work, we take the mpiPOM (a parallel version of the Princeton Ocean Model) as our starting point, design and implement a GPU-based Princeton Ocean Model. By carefully considering the architectural features of the state-of-the-art GPU devices, we rewrite the full mpiPOM model from the original Fortran version into a new Compute Unified Device Architecture C (CUDA-C) version. We take several accelerating methods to further improve the performance of gpuPOM, including optimizing memory access in a single GPU, overlapping communication and boundary operations among multiple GPUs, and overlapping input/output (I/O) between the hybrid Central Processing Unit (CPU) and the GPU. Our experimental results indicate that the performance of the gpuPOM on a workstation containing 4 GPUs is comparable to a powerful cluster with 408 CPU cores and it reduces the energy consumption by 6.8 times.

SU-E-T-29: A Web Application for GPU-Based Monte Carlo IMRT/VMAT QA with Delivered Dose Verification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Folkerts, M; University of California, San Diego, La Jolla, CA; Graves, Y

Purpose: To enable an existing web application for GPU-based Monte Carlo (MC) 3D dosimetry quality assurance (QA) to compute “delivered dose” from linac logfile data. Methods: We added significant features to an IMRT/VMAT QA web application which is based on existing technologies (HTML5, Python, and Django). This tool interfaces with python, c-code libraries, and command line-based GPU applications to perform a MC-based IMRT/VMAT QA. The web app automates many complicated aspects of interfacing clinical DICOM and logfile data with cutting-edge GPU software to run a MC dose calculation. The resultant web app is powerful, easy to use, and is ablemore » to re-compute both plan dose (from DICOM data) and delivered dose (from logfile data). Both dynalog and trajectorylog file formats are supported. Users upload zipped DICOM RP, CT, and RD data and set the expected statistic uncertainty for the MC dose calculation. A 3D gamma index map, 3D dose distribution, gamma histogram, dosimetric statistics, and DVH curves are displayed to the user. Additional the user may upload the delivery logfile data from the linac to compute a 'delivered dose' calculation and corresponding gamma tests. A comprehensive PDF QA report summarizing the results can also be downloaded. Results: We successfully improved a web app for a GPU-based QA tool that consists of logfile parcing, fluence map generation, CT image processing, GPU based MC dose calculation, gamma index calculation, and DVH calculation. The result is an IMRT and VMAT QA tool that conducts an independent dose calculation for a given treatment plan and delivery log file. The system takes both DICOM data and logfile data to compute plan dose and delivered dose respectively. Conclusion: We sucessfully improved a GPU-based MC QA tool to allow for logfile dose calculation. The high efficiency and accessibility will greatly facilitate IMRT and VMAT QA.« less

Fast Deep Tracking via Semi-Online Domain Adaptation

NASA Astrophysics Data System (ADS)

Li, Xiaoping; Luo, Wenbing; Zhu, Yi; Li, Hanxi; Wang, Mingwen

2018-04-01

Deep tracking has been illustrating overwhelming superiorities over the shallow methods. Unfortunately, it also suffers from low FPS rates. To alleviate the problem, a number of real-time deep trackers have been proposed via removing the online updating procedure on the CNN model. However, the absent of the online update leads to a significant drop on tracking accuracy. In this work, we propose to perform the domain adaptation for visual tracking in two stages for transferring the information from the visual tracking domain and the instance domain respectively. In this way, the proposed visual tracker achieves comparable tracking accuracy to the state-of-the-art trackers and runs at real-time speed on an average consuming GPU.

High performance computing for deformable image registration: towards a new paradigm in adaptive radiotherapy.

PubMed

Samant, Sanjiv S; Xia, Junyi; Muyan-Ozcelik, Pinar; Owens, John D

2008-08-01

The advent of readily available temporal imaging or time series volumetric (4D) imaging has become an indispensable component of treatment planning and adaptive radiotherapy (ART) at many radiotherapy centers. Deformable image registration (DIR) is also used in other areas of medical imaging, including motion corrected image reconstruction. Due to long computation time, clinical applications of DIR in radiation therapy and elsewhere have been limited and consequently relegated to offline analysis. With the recent advances in hardware and software, graphics processing unit (GPU) based computing is an emerging technology for general purpose computation, including DIR, and is suitable for highly parallelized computing. However, traditional general purpose computation on the GPU is limited because the constraints of the available programming platforms. As well, compared to CPU programming, the GPU currently has reduced dedicated processor memory, which can limit the useful working data set for parallelized processing. We present an implementation of the demons algorithm using the NVIDIA 8800 GTX GPU and the new CUDA programming language. The GPU performance will be compared with single threading and multithreading CPU implementations on an Intel dual core 2.4 GHz CPU using the C programming language. CUDA provides a C-like language programming interface, and allows for direct access to the highly parallel compute units in the GPU. Comparisons for volumetric clinical lung images acquired using 4DCT were carried out. Computation time for 100 iterations in the range of 1.8-13.5 s was observed for the GPU with image size ranging from 2.0 x 10(6) to 14.2 x 10(6) pixels. The GPU registration was 55-61 times faster than the CPU for the single threading implementation, and 34-39 times faster for the multithreading implementation. For CPU based computing, the computational time generally has a linear dependence on image size for medical imaging data. Computational efficiency is characterized in terms of time per megapixels per iteration (TPMI) with units of seconds per megapixels per iteration (or spmi). For the demons algorithm, our CPU implementation yielded largely invariant values of TPMI. The mean TPMIs were 0.527 spmi and 0.335 spmi for the single threading and multithreading cases, respectively, with <2% variation over the considered image data range. For GPU computing, we achieved TPMI =0.00916 spmi with 3.7% variation, indicating optimized memory handling under CUDA. The paradigm of GPU based real-time DIR opens up a host of clinical applications for medical imaging.

Parallel Key Frame Extraction for Surveillance Video Service in a Smart City.

PubMed

Zheng, Ran; Yao, Chuanwei; Jin, Hai; Zhu, Lei; Zhang, Qin; Deng, Wei

2015-01-01

Surveillance video service (SVS) is one of the most important services provided in a smart city. It is very important for the utilization of SVS to provide design efficient surveillance video analysis techniques. Key frame extraction is a simple yet effective technique to achieve this goal. In surveillance video applications, key frames are typically used to summarize important video content. It is very important and essential to extract key frames accurately and efficiently. A novel approach is proposed to extract key frames from traffic surveillance videos based on GPU (graphics processing units) to ensure high efficiency and accuracy. For the determination of key frames, motion is a more salient feature in presenting actions or events, especially in surveillance videos. The motion feature is extracted in GPU to reduce running time. It is also smoothed to reduce noise, and the frames with local maxima of motion information are selected as the final key frames. The experimental results show that this approach can extract key frames more accurately and efficiently compared with several other methods.

Graphics processing units in bioinformatics, computational biology and systems biology.

PubMed

Nobile, Marco S; Cazzaniga, Paolo; Tangherloni, Andrea; Besozzi, Daniela

2017-09-01

Several studies in Bioinformatics, Computational Biology and Systems Biology rely on the definition of physico-chemical or mathematical models of biological systems at different scales and levels of complexity, ranging from the interaction of atoms in single molecules up to genome-wide interaction networks. Traditional computational methods and software tools developed in these research fields share a common trait: they can be computationally demanding on Central Processing Units (CPUs), therefore limiting their applicability in many circumstances. To overcome this issue, general-purpose Graphics Processing Units (GPUs) are gaining an increasing attention by the scientific community, as they can considerably reduce the running time required by standard CPU-based software, and allow more intensive investigations of biological systems. In this review, we present a collection of GPU tools recently developed to perform computational analyses in life science disciplines, emphasizing the advantages and the drawbacks in the use of these parallel architectures. The complete list of GPU-powered tools here reviewed is available at http://bit.ly/gputools. © The Author 2016. Published by Oxford University Press.

SU-E-T-423: Fast Photon Convolution Calculation with a 3D-Ideal Kernel On the GPU

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moriya, S; Sato, M; Tachibana, H

Purpose: The calculation time is a trade-off for improving the accuracy of convolution dose calculation with fine calculation spacing of the KERMA kernel. We investigated to accelerate the convolution calculation using an ideal kernel on the Graphic Processing Units (GPU). Methods: The calculation was performed on the AMD graphics hardware of Dual FirePro D700 and our algorithm was implemented using the Aparapi that convert Java bytecode to OpenCL. The process of dose calculation was separated with the TERMA and KERMA steps. The dose deposited at the coordinate (x, y, z) was determined in the process. In the dose calculation runningmore » on the central processing unit (CPU) of Intel Xeon E5, the calculation loops were performed for all calculation points. On the GPU computation, all of the calculation processes for the points were sent to the GPU and the multi-thread computation was done. In this study, the dose calculation was performed in a water equivalent homogeneous phantom with 150{sup 3} voxels (2 mm calculation grid) and the calculation speed on the GPU to that on the CPU and the accuracy of PDD were compared. Results: The calculation time for the GPU and the CPU were 3.3 sec and 4.4 hour, respectively. The calculation speed for the GPU was 4800 times faster than that for the CPU. The PDD curve for the GPU was perfectly matched to that for the CPU. Conclusion: The convolution calculation with the ideal kernel on the GPU was clinically acceptable for time and may be more accurate in an inhomogeneous region. Intensity modulated arc therapy needs dose calculations for different gantry angles at many control points. Thus, it would be more practical that the kernel uses a coarse spacing technique if the calculation is faster while keeping the similar accuracy to a current treatment planning system.« less

myPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme.

PubMed

Kasahara, Kota; Ma, Benson; Goto, Kota; Dasgupta, Bhaskar; Higo, Junichi; Fukuda, Ikuo; Mashimo, Tadaaki; Akiyama, Yutaka; Nakamura, Haruki

2016-01-01

Molecular dynamics (MD) is a promising computational approach to investigate dynamical behavior of molecular systems at the atomic level. Here, we present a new MD simulation engine named "myPresto/omegagene" that is tailored for enhanced conformational sampling methods with a non-Ewald electrostatic potential scheme. Our enhanced conformational sampling methods, e.g. , the virtual-system-coupled multi-canonical MD (V-McMD) method, replace a multi-process parallelized run with multiple independent runs to avoid inter-node communication overhead. In addition, adopting the non-Ewald-based zero-multipole summation method (ZMM) makes it possible to eliminate the Fourier space calculations altogether. The combination of these state-of-the-art techniques realizes efficient and accurate calculations of the conformational ensemble at an equilibrium state. By taking these advantages, myPresto/omegagene is specialized for the single process execution with Graphics Processing Unit (GPU). We performed benchmark simulations for the 20-mer peptide, Trp-cage, with explicit solvent. One of the most thermodynamically stable conformations generated by the V-McMD simulation is very similar to an experimentally solved native conformation. Furthermore, the computation speed is four-times faster than that of our previous simulation engine, myPresto/psygene-G. The new simulator, myPresto/omegagene, is freely available at the following URLs: http://www.protein.osaka-u.ac.jp/rcsfp/pi/omegagene/ and http://presto.protein.osaka-u.ac.jp/myPresto4/.

Novel hybrid GPU-CPU implementation of parallelized Monte Carlo parametric expectation maximization estimation method for population pharmacokinetic data analysis.

PubMed

Ng, C M

2013-10-01

The development of a population PK/PD model, an essential component for model-based drug development, is both time- and labor-intensive. A graphical-processing unit (GPU) computing technology has been proposed and used to accelerate many scientific computations. The objective of this study was to develop a hybrid GPU-CPU implementation of parallelized Monte Carlo parametric expectation maximization (MCPEM) estimation algorithm for population PK data analysis. A hybrid GPU-CPU implementation of the MCPEM algorithm (MCPEMGPU) and identical algorithm that is designed for the single CPU (MCPEMCPU) were developed using MATLAB in a single computer equipped with dual Xeon 6-Core E5690 CPU and a NVIDIA Tesla C2070 GPU parallel computing card that contained 448 stream processors. Two different PK models with rich/sparse sampling design schemes were used to simulate population data in assessing the performance of MCPEMCPU and MCPEMGPU. Results were analyzed by comparing the parameter estimation and model computation times. Speedup factor was used to assess the relative benefit of parallelized MCPEMGPU over MCPEMCPU in shortening model computation time. The MCPEMGPU consistently achieved shorter computation time than the MCPEMCPU and can offer more than 48-fold speedup using a single GPU card. The novel hybrid GPU-CPU implementation of parallelized MCPEM algorithm developed in this study holds a great promise in serving as the core for the next-generation of modeling software for population PK/PD analysis.

A fully parallel in time and space algorithm for simulating the electrical activity of a neural tissue.

PubMed

Bedez, Mathieu; Belhachmi, Zakaria; Haeberlé, Olivier; Greget, Renaud; Moussaoui, Saliha; Bouteiller, Jean-Marie; Bischoff, Serge

2016-01-15

The resolution of a model describing the electrical activity of neural tissue and its propagation within this tissue is highly consuming in term of computing time and requires strong computing power to achieve good results. In this study, we present a method to solve a model describing the electrical propagation in neuronal tissue, using parareal algorithm, coupling with parallelization space using CUDA in graphical processing unit (GPU). We applied the method of resolution to different dimensions of the geometry of our model (1-D, 2-D and 3-D). The GPU results are compared with simulations from a multi-core processor cluster, using message-passing interface (MPI), where the spatial scale was parallelized in order to reach a comparable calculation time than that of the presented method using GPU. A gain of a factor 100 in term of computational time between sequential results and those obtained using the GPU has been obtained, in the case of 3-D geometry. Given the structure of the GPU, this factor increases according to the fineness of the geometry used in the computation. To the best of our knowledge, it is the first time such a method is used, even in the case of neuroscience. Parallelization time coupled with GPU parallelization space allows for drastically reducing computational time with a fine resolution of the model describing the propagation of the electrical signal in a neuronal tissue. Copyright © 2015 Elsevier B.V. All rights reserved.

Towards robust algorithms for current deposition and dynamic load-balancing in a GPU particle in cell code

NASA Astrophysics Data System (ADS)

Rossi, Francesco; Londrillo, Pasquale; Sgattoni, Andrea; Sinigardi, Stefano; Turchetti, Giorgio

2012-12-01

We present `jasmine', an implementation of a fully relativistic, 3D, electromagnetic Particle-In-Cell (PIC) code, capable of running simulations in various laser plasma acceleration regimes on Graphics-Processing-Units (GPUs) HPC clusters. Standard energy/charge preserving FDTD-based algorithms have been implemented using double precision and quadratic (or arbitrary sized) shape functions for the particle weighting. When porting a PIC scheme to the GPU architecture (or, in general, a shared memory environment), the particle-to-grid operations (e.g. the evaluation of the current density) require special care to avoid memory inconsistencies and conflicts. Here we present a robust implementation of this operation that is efficient for any number of particles per cell and particle shape function order. Our algorithm exploits the exposed GPU memory hierarchy and avoids the use of atomic operations, which can hurt performance especially when many particles lay on the same cell. We show the code multi-GPU scalability results and present a dynamic load-balancing algorithm. The code is written using a python-based C++ meta-programming technique which translates in a high level of modularity and allows for easy performance tuning and simple extension of the core algorithms to various simulation schemes.

Accelerating EPI distortion correction by utilizing a modern GPU-based parallel computation.

PubMed

Yang, Yao-Hao; Huang, Teng-Yi; Wang, Fu-Nien; Chuang, Tzu-Chao; Chen, Nan-Kuei

2013-04-01

The combination of phase demodulation and field mapping is a practical method to correct echo planar imaging (EPI) geometric distortion. However, since phase dispersion accumulates in each phase-encoding step, the calculation complexity of phase modulation is Ny-fold higher than conventional image reconstructions. Thus, correcting EPI images via phase demodulation is generally a time-consuming task. Parallel computing by employing general-purpose calculations on graphics processing units (GPU) can accelerate scientific computing if the algorithm is parallelized. This study proposes a method that incorporates the GPU-based technique into phase demodulation calculations to reduce computation time. The proposed parallel algorithm was applied to a PROPELLER-EPI diffusion tensor data set. The GPU-based phase demodulation method reduced the EPI distortion correctly, and accelerated the computation. The total reconstruction time of the 16-slice PROPELLER-EPI diffusion tensor images with matrix size of 128 × 128 was reduced from 1,754 seconds to 101 seconds by utilizing the parallelized 4-GPU program. GPU computing is a promising method to accelerate EPI geometric correction. The resulting reduction in computation time of phase demodulation should accelerate postprocessing for studies performed with EPI, and should effectuate the PROPELLER-EPI technique for clinical practice. Copyright © 2011 by the American Society of Neuroimaging.

Efficient methods for implementation of multi-level nonrigid mass-preserving image registration on GPUs and multi-threaded CPUs.

PubMed

Ellingwood, Nathan D; Yin, Youbing; Smith, Matthew; Lin, Ching-Long

2016-04-01

Faster and more accurate methods for registration of images are important for research involved in conducting population-based studies that utilize medical imaging, as well as improvements for use in clinical applications. We present a novel computation- and memory-efficient multi-level method on graphics processing units (GPU) for performing registration of two computed tomography (CT) volumetric lung images. We developed a computation- and memory-efficient Diffeomorphic Multi-level B-Spline Transform Composite (DMTC) method to implement nonrigid mass-preserving registration of two CT lung images on GPU. The framework consists of a hierarchy of B-Spline control grids of increasing resolution. A similarity criterion known as the sum of squared tissue volume difference (SSTVD) was adopted to preserve lung tissue mass. The use of SSTVD consists of the calculation of the tissue volume, the Jacobian, and their derivatives, which makes its implementation on GPU challenging due to memory constraints. The use of the DMTC method enabled reduced computation and memory storage of variables with minimal communication between GPU and Central Processing Unit (CPU) due to ability to pre-compute values. The method was assessed on six healthy human subjects. Resultant GPU-generated displacement fields were compared against the previously validated CPU counterpart fields, showing good agreement with an average normalized root mean square error (nRMS) of 0.044±0.015. Runtime and performance speedup are compared between single-threaded CPU, multi-threaded CPU, and GPU algorithms. Best performance speedup occurs at the highest resolution in the GPU implementation for the SSTVD cost and cost gradient computations, with a speedup of 112 times that of the single-threaded CPU version and 11 times over the twelve-threaded version when considering average time per iteration using a Nvidia Tesla K20X GPU. The proposed GPU-based DMTC method outperforms its multi-threaded CPU version in terms of runtime. Total registration time reduced runtime to 2.9min on the GPU version, compared to 12.8min on twelve-threaded CPU version and 112.5min on a single-threaded CPU. Furthermore, the GPU implementation discussed in this work can be adapted for use of other cost functions that require calculation of the first derivatives. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics

NASA Astrophysics Data System (ADS)

Yang, Sheng-Chun; Lu, Zhong-Yuan; Qian, Hu-Jun; Wang, Yong-Lei; Han, Jie-Ping

2017-11-01

In this work, we upgraded the electrostatic interaction method of CU-ENUF (Yang, et al., 2016) which first applied CUNFFT (nonequispaced Fourier transforms based on CUDA) to the reciprocal-space electrostatic computation and made the computation of electrostatic interaction done thoroughly in GPU. The upgraded edition of CU-ENUF runs concurrently in a hybrid parallel way that enables the computation parallelizing on multiple computer nodes firstly, then further on the installed GPU in each computer. By this parallel strategy, the size of simulation system will be never restricted to the throughput of a single CPU or GPU. The most critical technical problem is how to parallelize a CUNFFT in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Furthermore, the upgraded method is capable of computing electrostatic interactions for both the atomistic molecular dynamics (MD) and the dissipative particle dynamics (DPD). Finally, the benchmarks conducted for validation and performance indicate that the upgraded method is able to not only present a good precision when setting suitable parameters, but also give an efficient way to compute electrostatic interactions for huge simulation systems. Program Files doi:http://dx.doi.org/10.17632/zncf24fhpv.1 Licensing provisions: GNU General Public License 3 (GPL) Programming language: C, C++, and CUDA C Supplementary material: The program is designed for effective electrostatic interactions of large-scale simulation systems, which runs on particular computers equipped with NVIDIA GPUs. It has been tested on (a) single computer node with Intel(R) Core(TM) i7-3770@ 3.40 GHz (CPU) and GTX 980 Ti (GPU), and (b) MPI parallel computer nodes with the same configurations. Nature of problem: For molecular dynamics simulation, the electrostatic interaction is the most time-consuming computation because of its long-range feature and slow convergence in simulation space, which approximately take up most of the total simulation time. Although the parallel method CU-ENUF (Yang et al., 2016) based on GPU has achieved a qualitative leap compared with previous methods in electrostatic interactions computation, the computation capability is limited to the throughput capacity of a single GPU for super-scale simulation system. Therefore, we should look for an effective method to handle the calculation of electrostatic interactions efficiently for a simulation system with super-scale size. Solution method: We constructed a hybrid parallel architecture, in which CPU and GPU are combined to accelerate the electrostatic computation effectively. Firstly, the simulation system is divided into many subtasks via domain-decomposition method. Then MPI (Message Passing Interface) is used to implement the CPU-parallel computation with each computer node corresponding to a particular subtask, and furthermore each subtask in one computer node will be executed in GPU in parallel efficiently. In this hybrid parallel method, the most critical technical problem is how to parallelize a CUNFFT (nonequispaced fast Fourier transform based on CUDA) in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Restrictions: The HP-ENUF is mainly oriented to super-scale system simulations, in which the performance superiority is shown adequately. However, for a small simulation system containing less than 106 particles, the mode of multiple computer nodes has no apparent efficiency advantage or even lower efficiency due to the serious network delay among computer nodes, than the mode of single computer node. References: (1) S.-C. Yang, H.-J. Qian, Z.-Y. Lu, Appl. Comput. Harmon. Anal. 2016, http://dx.doi.org/10.1016/j.acha.2016.04.009. (2) S.-C. Yang, Y.-L. Wang, G.-S. Jiao, H.-J. Qian, Z.-Y. Lu, J. Comput. Chem. 37 (2016) 378. (3) S.-C. Yang, Y.-L. Zhu, H.-J. Qian, Z.-Y. Lu, Appl. Chem. Res. Chin. Univ., 2017, http://dx.doi.org/10.1007/s40242-016-6354-5. (4) Y.-L. Zhu, H. Liu, Z.-W. Li, H.-J. Qian, G. Milano, Z.-Y. Lu, J. Comput. Chem. 34 (2013) 2197.

SU-C-BRC-07: Parametrized GPU Accelerated Electron Monte Carlo Second Check

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haywood, J

Purpose: I am presenting a parameterized 3D GPU accelerated electron Monte Carlo second check program. Method: I wrote the 3D grid dose calculation algorithm in CUDA and utilized an NVIDIA GeForce GTX 780 Ti to run all of the calculations. The electron path beyond the distal end of the cone is governed by four parameters: the amplitude of scattering (AMP), the mean and width of a Gaussian energy distribution (E and α), and the percentage of photons. In my code, I adjusted all parameters until the calculated PDD and profile fit the measured 10×10 open beam data within 1%/1mm. Imore » then wrote a user interface for reading the DICOM treatment plan and images in Python. In order to verify the algorithm, I calculated 3D dose distributions on a variety of phantoms and geometries, and compared them with the Eclipse eMC calculations. I also calculated several patient specific dose distributions, including a nose and an ear. Finally, I compared my algorithm’s computation times to Eclipse’s. Results: The calculated MU for all of the investigated geometries agree with the TPS within the TG-114 action level of 5%. The MU for the nose was < 0.5 % different while the MU for the ear at 105 SSD was ∼2 %. Calculation times for a 12MeV 10×10 open beam ranged from 1 second for a 2.5 mm grid resolution with ∼15 million particles to 33 seconds on a 1 mm grid with ∼460 million particles. Eclipse calculation runtimes distributed over 10 FAS workers were 9 seconds to 15 minutes respectively. Conclusion: The GPU accelerated second check allows quick MU verification while accounting for patient specific geometry and heterogeneity.« less

Combating the Reliability Challenge of GPU Register File at Low Supply Voltage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Jingweijia; Song, Shuaiwen; Yan, Kaige

Supply voltage reduction is an effective approach to significantly reduce GPU energy consumption. As the largest on-chip storage structure, the GPU register file becomes the reliability hotspot that prevents further supply voltage reduction below the safe limit (Vmin) due to process variation effects. This work addresses the reliability challenge of the GPU register file at low supply voltages, which is an essential first step for aggressive supply voltage reduction of the entire GPU chip. We propose GR-Guard, an architectural solution that leverages long register dead time to enable reliable operations from unreliable register file at low voltages.

GPU-accelerated non-uniform fast Fourier transform-based compressive sensing spectral domain optical coherence tomography.

PubMed

Xu, Daguang; Huang, Yong; Kang, Jin U

2014-06-16

We implemented the graphics processing unit (GPU) accelerated compressive sensing (CS) non-uniform in k-space spectral domain optical coherence tomography (SD OCT). Kaiser-Bessel (KB) function and Gaussian function are used independently as the convolution kernel in the gridding-based non-uniform fast Fourier transform (NUFFT) algorithm with different oversampling ratios and kernel widths. Our implementation is compared with the GPU-accelerated modified non-uniform discrete Fourier transform (MNUDFT) matrix-based CS SD OCT and the GPU-accelerated fast Fourier transform (FFT)-based CS SD OCT. It was found that our implementation has comparable performance to the GPU-accelerated MNUDFT-based CS SD OCT in terms of image quality while providing more than 5 times speed enhancement. When compared to the GPU-accelerated FFT based-CS SD OCT, it shows smaller background noise and less side lobes while eliminating the need for the cumbersome k-space grid filling and the k-linear calibration procedure. Finally, we demonstrated that by using a conventional desktop computer architecture having three GPUs, real-time B-mode imaging can be obtained in excess of 30 fps for the GPU-accelerated NUFFT based CS SD OCT with frame size 2048(axial) × 1,000(lateral).

Implementation of EAM and FS potentials in HOOMD-blue

NASA Astrophysics Data System (ADS)

Yang, Lin; Zhang, Feng; Travesset, Alex; Wang, Caizhuang; Ho, Kaiming

HOOMD-blue is a general-purpose software to perform classical molecular dynamics simulations entirely on GPUs. We provide full support for EAM and FS type potentials in HOOMD-blue, and report accuracy and efficiency benchmarks, including comparisons with the LAMMPS GPU package. Two problems were selected to test the accuracy: the determination of the glass transition temperature of Cu64.5Zr35.5 alloy using an FS potential and the calculation of pair distribution functions of Ni3Al using an EAM potential. In both cases, the results using HOOMD-blue are indistinguishable from those obtained by the GPU package in LAMMPS within statistical uncertainties. As tests for time efficiency, we benchmark time-steps per second using LAMMPS GPU and HOOMD-blue on one NVIDIA Tesla GPU. Compared to our typical LAMMPS simulations on one CPU cluster node which has 16 CPUs, LAMMPS GPU can be 3-3.5 times faster, and HOOMD-blue can be 4-5.5 times faster. We acknowledge the support from Laboratory Directed Research and Development (LDRD) of Ames Laboratory.

Fast GPU-based computation of spatial multigrid multiframe LMEM for PET.

PubMed

Nassiri, Moulay Ali; Carrier, Jean-François; Després, Philippe

2015-09-01

Significant efforts were invested during the last decade to accelerate PET list-mode reconstructions, notably with GPU devices. However, the computation time per event is still relatively long, and the list-mode efficiency on the GPU is well below the histogram-mode efficiency. Since list-mode data are not arranged in any regular pattern, costly accesses to the GPU global memory can hardly be optimized and geometrical symmetries cannot be used. To overcome obstacles that limit the acceleration of reconstruction from list-mode on the GPU, a multigrid and multiframe approach of an expectation-maximization algorithm was developed. The reconstruction process is started during data acquisition, and calculations are executed concurrently on the GPU and the CPU, while the system matrix is computed on-the-fly. A new convergence criterion also was introduced, which is computationally more efficient on the GPU. The implementation was tested on a Tesla C2050 GPU device for a Gemini GXL PET system geometry. The results show that the proposed algorithm (multigrid and multiframe list-mode expectation-maximization, MGMF-LMEM) converges to the same solution as the LMEM algorithm more than three times faster. The execution time of the MGMF-LMEM algorithm was 1.1 s per million of events on the Tesla C2050 hardware used, for a reconstructed space of 188 x 188 x 57 voxels of 2 x 2 x 3.15 mm3. For 17- and 22-mm simulated hot lesions, the MGMF-LMEM algorithm led on the first iteration to contrast recovery coefficients (CRC) of more than 75 % of the maximum CRC while achieving a minimum in the relative mean square error. Therefore, the MGMF-LMEM algorithm can be used as a one-pass method to perform real-time reconstructions for low-count acquisitions, as in list-mode gated studies. The computation time for one iteration and 60 millions of events was approximately 66 s.

GPU computing in medical physics: a review.

PubMed

Pratx, Guillem; Xing, Lei

2011-05-01

The graphics processing unit (GPU) has emerged as a competitive platform for computing massively parallel problems. Many computing applications in medical physics can be formulated as data-parallel tasks that exploit the capabilities of the GPU for reducing processing times. The authors review the basic principles of GPU computing as well as the main performance optimization techniques, and survey existing applications in three areas of medical physics, namely image reconstruction, dose calculation and treatment plan optimization, and image processing.

Real-time dynamic display of registered 4D cardiac MR and ultrasound images using a GPU

NASA Astrophysics Data System (ADS)

Zhang, Q.; Huang, X.; Eagleson, R.; Guiraudon, G.; Peters, T. M.

2007-03-01

In minimally invasive image-guided surgical interventions, different imaging modalities, such as magnetic resonance imaging (MRI), computed tomography (CT), and real-time three-dimensional (3D) ultrasound (US), can provide complementary, multi-spectral image information. Multimodality dynamic image registration is a well-established approach that permits real-time diagnostic information to be enhanced by placing lower-quality real-time images within a high quality anatomical context. For the guidance of cardiac procedures, it would be valuable to register dynamic MRI or CT with intraoperative US. However, in practice, either the high computational cost prohibits such real-time visualization of volumetric multimodal images in a real-world medical environment, or else the resulting image quality is not satisfactory for accurate guidance during the intervention. Modern graphics processing units (GPUs) provide the programmability, parallelism and increased computational precision to begin to address this problem. In this work, we first outline our research on dynamic 3D cardiac MR and US image acquisition, real-time dual-modality registration and US tracking. Then we describe image processing and optimization techniques for 4D (3D + time) cardiac image real-time rendering. We also present our multimodality 4D medical image visualization engine, which directly runs on a GPU in real-time by exploiting the advantages of the graphics hardware. In addition, techniques such as multiple transfer functions for different imaging modalities, dynamic texture binding, advanced texture sampling and multimodality image compositing are employed to facilitate the real-time display and manipulation of the registered dual-modality dynamic 3D MR and US cardiac datasets.

GPU Lossless Hyperspectral Data Compression System

NASA Technical Reports Server (NTRS)

Aranki, Nazeeh I.; Keymeulen, Didier; Kiely, Aaron B.; Klimesh, Matthew A.

2014-01-01

Hyperspectral imaging systems onboard aircraft or spacecraft can acquire large amounts of data, putting a strain on limited downlink and storage resources. Onboard data compression can mitigate this problem but may require a system capable of a high throughput. In order to achieve a high throughput with a software compressor, a graphics processing unit (GPU) implementation of a compressor was developed targeting the current state-of-the-art GPUs from NVIDIA(R). The implementation is based on the fast lossless (FL) compression algorithm reported in "Fast Lossless Compression of Multispectral-Image Data" (NPO- 42517), NASA Tech Briefs, Vol. 30, No. 8 (August 2006), page 26, which operates on hyperspectral data and achieves excellent compression performance while having low complexity. The FL compressor uses an adaptive filtering method and achieves state-of-the-art performance in both compression effectiveness and low complexity. The new Consultative Committee for Space Data Systems (CCSDS) Standard for Lossless Multispectral & Hyperspectral image compression (CCSDS 123) is based on the FL compressor. The software makes use of the highly-parallel processing capability of GPUs to achieve a throughput at least six times higher than that of a software implementation running on a single-core CPU. This implementation provides a practical real-time solution for compression of data from airborne hyperspectral instruments.

GRAVIDY, a GPU modular, parallel direct-summation N-body integrator: dynamics with softening

NASA Astrophysics Data System (ADS)

Maureira-Fredes, Cristián; Amaro-Seoane, Pau

2018-01-01

A wide variety of outstanding problems in astrophysics involve the motion of a large number of particles under the force of gravity. These include the global evolution of globular clusters, tidal disruptions of stars by a massive black hole, the formation of protoplanets and sources of gravitational radiation. The direct-summation of N gravitational forces is a complex problem with no analytical solution and can only be tackled with approximations and numerical methods. To this end, the Hermite scheme is a widely used integration method. With different numerical techniques and special-purpose hardware, it can be used to speed up the calculations. But these methods tend to be computationally slow and cumbersome to work with. We present a new graphics processing unit (GPU), direct-summation N-body integrator written from scratch and based on this scheme, which includes relativistic corrections for sources of gravitational radiation. GRAVIDY has high modularity, allowing users to readily introduce new physics, it exploits available computational resources and will be maintained by regular updates. GRAVIDY can be used in parallel on multiple CPUs and GPUs, with a considerable speed-up benefit. The single-GPU version is between one and two orders of magnitude faster than the single-CPU version. A test run using four GPUs in parallel shows a speed-up factor of about 3 as compared to the single-GPU version. The conception and design of this first release is aimed at users with access to traditional parallel CPU clusters or computational nodes with one or a few GPU cards.

Aggregated channels network for real-time pedestrian detection

NASA Astrophysics Data System (ADS)

Ghorban, Farzin; Marín, Javier; Su, Yu; Colombo, Alessandro; Kummert, Anton

2018-04-01

Convolutional neural networks (CNNs) have demonstrated their superiority in numerous computer vision tasks, yet their computational cost results prohibitive for many real-time applications such as pedestrian detection which is usually performed on low-consumption hardware. In order to alleviate this drawback, most strategies focus on using a two-stage cascade approach. Essentially, in the first stage a fast method generates a significant but reduced amount of high quality proposals that later, in the second stage, are evaluated by the CNN. In this work, we propose a novel detection pipeline that further benefits from the two-stage cascade strategy. More concretely, the enriched and subsequently compressed features used in the first stage are reused as the CNN input. As a consequence, a simpler network architecture, adapted for such small input sizes, allows to achieve real-time performance and obtain results close to the state-of-the-art while running significantly faster without the use of GPU. In particular, considering that the proposed pipeline runs in frame rate, the achieved performance is highly competitive. We furthermore demonstrate that the proposed pipeline on itself can serve as an effective proposal generator.

Automatic Fitting of Spiking Neuron Models to Electrophysiological Recordings

PubMed Central

Rossant, Cyrille; Goodman, Dan F. M.; Platkiewicz, Jonathan; Brette, Romain

2010-01-01

Spiking models can accurately predict the spike trains produced by cortical neurons in response to somatically injected currents. Since the specific characteristics of the model depend on the neuron, a computational method is required to fit models to electrophysiological recordings. The fitting procedure can be very time consuming both in terms of computer simulations and in terms of code writing. We present algorithms to fit spiking models to electrophysiological data (time-varying input and spike trains) that can run in parallel on graphics processing units (GPUs). The model fitting library is interfaced with Brian, a neural network simulator in Python. If a GPU is present it uses just-in-time compilation to translate model equations into optimized code. Arbitrary models can then be defined at script level and run on the graphics card. This tool can be used to obtain empirically validated spiking models of neurons in various systems. We demonstrate its use on public data from the INCF Quantitative Single-Neuron Modeling 2009 competition by comparing the performance of a number of neuron spiking models. PMID:20224819

Gravitational tree-code on graphics processing units: implementation in CUDA

NASA Astrophysics Data System (ADS)

Gaburov, Evghenii; Bédorf, Jeroen; Portegies Zwart, Simon

2010-05-01

We present a new very fast tree-code which runs on massively parallel Graphical Processing Units (GPU) with NVIDIA CUDA architecture. The tree-construction and calculation of multipole moments is carried out on the host CPU, while the force calculation which consists of tree walks and evaluation of interaction list is carried out on the GPU. In this way we achieve a sustained performance of about 100GFLOP/s and data transfer rates of about 50GB/s. It takes about a second to compute forces on a million particles with an opening angle of θ ≈ 0.5. The code has a convenient user interface and is freely available for use. http://castle.strw.leidenuniv.nl/software/octgrav.html

Community Detection on the GPU

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naim, Md; Manne, Fredrik; Halappanavar, Mahantesh

We present and evaluate a new GPU algorithm based on the Louvain method for community detection. Our algorithm is the first for this problem that parallelizes the access to individual edges. In this way we can fine tune the load balance when processing networks with nodes of highly varying degrees. This is achieved by scaling the number of threads assigned to each node according to its degree. Extensive experiments show that we obtain speedups up to a factor of 270 compared to the sequential algorithm. The algorithm consistently outperforms other recent shared memory implementations and is only one order ofmore » magnitude slower than the current fastest parallel Louvain method running on a Blue Gene/Q supercomputer using more than 500K threads.« less

GPU-Powered Coherent Beamforming

NASA Astrophysics Data System (ADS)

Magro, A.; Adami, K. Zarb; Hickish, J.

2015-03-01

Graphics processing units (GPU)-based beamforming is a relatively unexplored area in radio astronomy, possibly due to the assumption that any such system will be severely limited by the PCIe bandwidth required to transfer data to the GPU. We have developed a CUDA-based GPU implementation of a coherent beamformer, specifically designed and optimized for deployment at the BEST-2 array which can generate an arbitrary number of synthesized beams for a wide range of parameters. It achieves ˜1.3 TFLOPs on an NVIDIA Tesla K20, approximately 10x faster than an optimized, multithreaded CPU implementation. This kernel has been integrated into two real-time, GPU-based time-domain software pipelines deployed at the BEST-2 array in Medicina: a standalone beamforming pipeline and a transient detection pipeline. We present performance benchmarks for the beamforming kernel as well as the transient detection pipeline with beamforming capabilities as well as results of test observation.

GPU COMPUTING FOR PARTICLE TRACKING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimura, Hiroshi; Song, Kai; Muriki, Krishna

2011-03-25

This is a feasibility study of using a modern Graphics Processing Unit (GPU) to parallelize the accelerator particle tracking code. To demonstrate the massive parallelization features provided by GPU computing, a simplified TracyGPU program is developed for dynamic aperture calculation. Performances, issues, and challenges from introducing GPU are also discussed. General purpose Computation on Graphics Processing Units (GPGPU) bring massive parallel computing capabilities to numerical calculation. However, the unique architecture of GPU requires a comprehensive understanding of the hardware and programming model to be able to well optimize existing applications. In the field of accelerator physics, the dynamic aperture calculationmore » of a storage ring, which is often the most time consuming part of the accelerator modeling and simulation, can benefit from GPU due to its embarrassingly parallel feature, which fits well with the GPU programming model. In this paper, we use the Tesla C2050 GPU which consists of 14 multi-processois (MP) with 32 cores on each MP, therefore a total of 448 cores, to host thousands ot threads dynamically. Thread is a logical execution unit of the program on GPU. In the GPU programming model, threads are grouped into a collection of blocks Within each block, multiple threads share the same code, and up to 48 KB of shared memory. Multiple thread blocks form a grid, which is executed as a GPU kernel. A simplified code that is a subset of Tracy++ [2] is developed to demonstrate the possibility of using GPU to speed up the dynamic aperture calculation by having each thread track a particle.« less

GPU Accelerated Prognostics

NASA Technical Reports Server (NTRS)

Gorospe, George E., Jr.; Daigle, Matthew J.; Sankararaman, Shankar; Kulkarni, Chetan S.; Ng, Eley

2017-01-01

Prognostic methods enable operators and maintainers to predict the future performance for critical systems. However, these methods can be computationally expensive and may need to be performed each time new information about the system becomes available. In light of these computational requirements, we have investigated the application of graphics processing units (GPUs) as a computational platform for real-time prognostics. Recent advances in GPU technology have reduced cost and increased the computational capability of these highly parallel processing units, making them more attractive for the deployment of prognostic software. We present a survey of model-based prognostic algorithms with considerations for leveraging the parallel architecture of the GPU and a case study of GPU-accelerated battery prognostics with computational performance results.

Efficient Parallel Levenberg-Marquardt Model Fitting towards Real-Time Automated Parametric Imaging Microscopy

PubMed Central

Zhu, Xiang; Zhang, Dianwen

2013-01-01

We present a fast, accurate and robust parallel Levenberg-Marquardt minimization optimizer, GPU-LMFit, which is implemented on graphics processing unit for high performance scalable parallel model fitting processing. GPU-LMFit can provide a dramatic speed-up in massive model fitting analyses to enable real-time automated pixel-wise parametric imaging microscopy. We demonstrate the performance of GPU-LMFit for the applications in superresolution localization microscopy and fluorescence lifetime imaging microscopy. PMID:24130785

A Hybrid CPU/GPU Pattern-Matching Algorithm for Deep Packet Inspection

PubMed Central

Chen, Yaw-Chung

2015-01-01

The large quantities of data now being transferred via high-speed networks have made deep packet inspection indispensable for security purposes. Scalable and low-cost signature-based network intrusion detection systems have been developed for deep packet inspection for various software platforms. Traditional approaches that only involve central processing units (CPUs) are now considered inadequate in terms of inspection speed. Graphic processing units (GPUs) have superior parallel processing power, but transmission bottlenecks can reduce optimal GPU efficiency. In this paper we describe our proposal for a hybrid CPU/GPU pattern-matching algorithm (HPMA) that divides and distributes the packet-inspecting workload between a CPU and GPU. All packets are initially inspected by the CPU and filtered using a simple pre-filtering algorithm, and packets that might contain malicious content are sent to the GPU for further inspection. Test results indicate that in terms of random payload traffic, the matching speed of our proposed algorithm was 3.4 times and 2.7 times faster than those of the AC-CPU and AC-GPU algorithms, respectively. Further, HPMA achieved higher energy efficiency than the other tested algorithms. PMID:26437335

A Hybrid CPU/GPU Pattern-Matching Algorithm for Deep Packet Inspection.

PubMed

Lee, Chun-Liang; Lin, Yi-Shan; Chen, Yaw-Chung

2015-01-01

The large quantities of data now being transferred via high-speed networks have made deep packet inspection indispensable for security purposes. Scalable and low-cost signature-based network intrusion detection systems have been developed for deep packet inspection for various software platforms. Traditional approaches that only involve central processing units (CPUs) are now considered inadequate in terms of inspection speed. Graphic processing units (GPUs) have superior parallel processing power, but transmission bottlenecks can reduce optimal GPU efficiency. In this paper we describe our proposal for a hybrid CPU/GPU pattern-matching algorithm (HPMA) that divides and distributes the packet-inspecting workload between a CPU and GPU. All packets are initially inspected by the CPU and filtered using a simple pre-filtering algorithm, and packets that might contain malicious content are sent to the GPU for further inspection. Test results indicate that in terms of random payload traffic, the matching speed of our proposed algorithm was 3.4 times and 2.7 times faster than those of the AC-CPU and AC-GPU algorithms, respectively. Further, HPMA achieved higher energy efficiency than the other tested algorithms.

Large Scale Document Inversion using a Multi-threaded Computing System

PubMed Central

Jung, Sungbo; Chang, Dar-Jen; Park, Juw Won

2018-01-01

Current microprocessor architecture is moving towards multi-core/multi-threaded systems. This trend has led to a surge of interest in using multi-threaded computing devices, such as the Graphics Processing Unit (GPU), for general purpose computing. We can utilize the GPU in computation as a massive parallel coprocessor because the GPU consists of multiple cores. The GPU is also an affordable, attractive, and user-programmable commodity. Nowadays a lot of information has been flooded into the digital domain around the world. Huge volume of data, such as digital libraries, social networking services, e-commerce product data, and reviews, etc., is produced or collected every moment with dramatic growth in size. Although the inverted index is a useful data structure that can be used for full text searches or document retrieval, a large number of documents will require a tremendous amount of time to create the index. The performance of document inversion can be improved by multi-thread or multi-core GPU. Our approach is to implement a linear-time, hash-based, single program multiple data (SPMD), document inversion algorithm on the NVIDIA GPU/CUDA programming platform utilizing the huge computational power of the GPU, to develop high performance solutions for document indexing. Our proposed parallel document inversion system shows 2-3 times faster performance than a sequential system on two different test datasets from PubMed abstract and e-commerce product reviews. CCS Concepts •Information systems➝Information retrieval • Computing methodologies➝Massively parallel and high-performance simulations. PMID:29861701

Large Scale Document Inversion using a Multi-threaded Computing System.

PubMed

Jung, Sungbo; Chang, Dar-Jen; Park, Juw Won

2017-06-01

Current microprocessor architecture is moving towards multi-core/multi-threaded systems. This trend has led to a surge of interest in using multi-threaded computing devices, such as the Graphics Processing Unit (GPU), for general purpose computing. We can utilize the GPU in computation as a massive parallel coprocessor because the GPU consists of multiple cores. The GPU is also an affordable, attractive, and user-programmable commodity. Nowadays a lot of information has been flooded into the digital domain around the world. Huge volume of data, such as digital libraries, social networking services, e-commerce product data, and reviews, etc., is produced or collected every moment with dramatic growth in size. Although the inverted index is a useful data structure that can be used for full text searches or document retrieval, a large number of documents will require a tremendous amount of time to create the index. The performance of document inversion can be improved by multi-thread or multi-core GPU. Our approach is to implement a linear-time, hash-based, single program multiple data (SPMD), document inversion algorithm on the NVIDIA GPU/CUDA programming platform utilizing the huge computational power of the GPU, to develop high performance solutions for document indexing. Our proposed parallel document inversion system shows 2-3 times faster performance than a sequential system on two different test datasets from PubMed abstract and e-commerce product reviews. •Information systems➝Information retrieval • Computing methodologies➝Massively parallel and high-performance simulations.

Genetically improved BarraCUDA.

PubMed

Langdon, W B; Lam, Brian Yee Hong

2017-01-01

BarraCUDA is an open source C program which uses the BWA algorithm in parallel with nVidia CUDA to align short next generation DNA sequences against a reference genome. Recently its source code was optimised using "Genetic Improvement". The genetically improved (GI) code is up to three times faster on short paired end reads from The 1000 Genomes Project and 60% more accurate on a short BioPlanet.com GCAT alignment benchmark. GPGPU BarraCUDA running on a single K80 Tesla GPU can align short paired end nextGen sequences up to ten times faster than bwa on a 12 core server. The speed up was such that the GI version was adopted and has been regularly downloaded from SourceForge for more than 12 months.

High Performance Computing of Meshless Time Domain Method on Multi-GPU Cluster

NASA Astrophysics Data System (ADS)

Ikuno, Soichiro; Nakata, Susumu; Hirokawa, Yuta; Itoh, Taku

2015-01-01

High performance computing of Meshless Time Domain Method (MTDM) on multi-GPU using the supercomputer HA-PACS (Highly Accelerated Parallel Advanced system for Computational Sciences) at University of Tsukuba is investigated. Generally, the finite difference time domain (FDTD) method is adopted for the numerical simulation of the electromagnetic wave propagation phenomena. However, the numerical domain must be divided into rectangle meshes, and it is difficult to adopt the problem in a complexed domain to the method. On the other hand, MTDM can be easily adept to the problem because MTDM does not requires meshes. In the present study, we implement MTDM on multi-GPU cluster to speedup the method, and numerically investigate the performance of the method on multi-GPU cluster. To reduce the computation time, the communication time between the decomposed domain is hided below the perfect matched layer (PML) calculation procedure. The results of computation show that speedup of MTDM on 128 GPUs is 173 times faster than that of single CPU calculation.

A GPU-Accelerated Approach for Feature Tracking in Time-Varying Imagery Datasets.

PubMed

Peng, Chao; Sahani, Sandip; Rushing, John

2017-10-01

We propose a novel parallel connected component labeling (CCL) algorithm along with efficient out-of-core data management to detect and track feature regions of large time-varying imagery datasets. Our approach contributes to the big data field with parallel algorithms tailored for GPU architectures. We remove the data dependency between frames and achieve pixel-level parallelism. Due to the large size, the entire dataset cannot fit into cached memory. Frames have to be streamed through the memory hierarchy (disk to CPU main memory and then to GPU memory), partitioned, and processed as batches, where each batch is small enough to fit into the GPU. To reconnect the feature regions that are separated due to data partitioning, we present a novel batch merging algorithm to extract the region connection information across multiple batches in a parallel fashion. The information is organized in a memory-efficient structure and supports fast indexing on the GPU. Our experiment uses a commodity workstation equipped with a single GPU. The results show that our approach can efficiently process a weather dataset composed of terabytes of time-varying radar images. The advantages of our approach are demonstrated by comparing to the performance of an efficient CPU cluster implementation which is being used by the weather scientists.

High-speed GPU-based finite element simulations for NDT

NASA Astrophysics Data System (ADS)

Huthwaite, P.; Shi, F.; Van Pamel, A.; Lowe, M. J. S.

2015-03-01

The finite element method solved with explicit time increments is a general approach which can be applied to many ultrasound problems. It is widely used as a powerful tool within NDE for developing and testing inspection techniques, and can also be used in inversion processes. However, the solution technique is computationally intensive, requiring many calculations to be performed for each simulation, so traditionally speed has been an issue. For maximum speed, an implementation of the method, called Pogo [Huthwaite, J. Comp. Phys. 2014, doi: 10.1016/j.jcp.2013.10.017], has been developed to run on graphics cards, exploiting the highly parallelisable nature of the algorithm. Pogo typically demonstrates speed improvements of 60-90x over commercial CPU alternatives. Pogo is applied to three NDE examples, where the speed improvements are important: guided wave tomography, where a full 3D simulation must be run for each source transducer and every different defect size; scattering from rough cracks, where many simulations need to be run to build up a statistical model of the behaviour; and ultrasound propagation within coarse-grained materials where the mesh must be highly refined and many different cases run.

Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: A GPU-accelerated molecular dynamics software

DOE PAGES

Yang, Lin; Zhang, Feng; Wang, Cai-Zhuang; ...

2018-01-12

We present an implementation of EAM and FS interatomic potentials, which are widely used in simulating metallic systems, in HOOMD-blue, a software designed to perform classical molecular dynamics simulations using GPU accelerations. We first discuss the details of our implementation and then report extensive benchmark tests. We demonstrate that single-precision floating point operations efficiently implemented on GPUs can produce sufficient accuracy when compared against double-precision codes, as demonstrated in test simulations of calculations of the glass-transition temperature of Cu 64.5Zr 35.5, and pair correlation function of liquid Ni 3Al. Our code scales well with the size of the simulating systemmore » on NVIDIA Tesla M40 and P100 GPUs. Compared with another popular software LAMMPS running on 32 cores of AMD Opteron 6220 processors, the GPU/CPU performance ratio can reach as high as 4.6. In conclusion, the source code can be accessed through the HOOMD-blue web page for free by any interested user.« less

Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: A GPU-accelerated molecular dynamics software

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Lin; Zhang, Feng; Wang, Cai-Zhuang

We present an implementation of EAM and FS interatomic potentials, which are widely used in simulating metallic systems, in HOOMD-blue, a software designed to perform classical molecular dynamics simulations using GPU accelerations. We first discuss the details of our implementation and then report extensive benchmark tests. We demonstrate that single-precision floating point operations efficiently implemented on GPUs can produce sufficient accuracy when compared against double-precision codes, as demonstrated in test simulations of calculations of the glass-transition temperature of Cu 64.5Zr 35.5, and pair correlation function of liquid Ni 3Al. Our code scales well with the size of the simulating systemmore » on NVIDIA Tesla M40 and P100 GPUs. Compared with another popular software LAMMPS running on 32 cores of AMD Opteron 6220 processors, the GPU/CPU performance ratio can reach as high as 4.6. In conclusion, the source code can be accessed through the HOOMD-blue web page for free by any interested user.« less

Massively parallel data processing for quantitative total flow imaging with optical coherence microscopy and tomography

NASA Astrophysics Data System (ADS)

Sylwestrzak, Marcin; Szlag, Daniel; Marchand, Paul J.; Kumar, Ashwin S.; Lasser, Theo

2017-08-01

We present an application of massively parallel processing of quantitative flow measurements data acquired using spectral optical coherence microscopy (SOCM). The need for massive signal processing of these particular datasets has been a major hurdle for many applications based on SOCM. In view of this difficulty, we implemented and adapted quantitative total flow estimation algorithms on graphics processing units (GPU) and achieved a 150 fold reduction in processing time when compared to a former CPU implementation. As SOCM constitutes the microscopy counterpart to spectral optical coherence tomography (SOCT), the developed processing procedure can be applied to both imaging modalities. We present the developed DLL library integrated in MATLAB (with an example) and have included the source code for adaptations and future improvements. Catalogue identifier: AFBT_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AFBT_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPLv3 No. of lines in distributed program, including test data, etc.: 913552 No. of bytes in distributed program, including test data, etc.: 270876249 Distribution format: tar.gz Programming language: CUDA/C, MATLAB. Computer: Intel x64 CPU, GPU supporting CUDA technology. Operating system: 64-bit Windows 7 Professional. Has the code been vectorized or parallelized?: Yes, CPU code has been vectorized in MATLAB, CUDA code has been parallelized. RAM: Dependent on users parameters, typically between several gigabytes and several tens of gigabytes Classification: 6.5, 18. Nature of problem: Speed up of data processing in optical coherence microscopy Solution method: Utilization of GPU for massively parallel data processing Additional comments: Compiled DLL library with source code and documentation, example of utilization (MATLAB script with raw data) Running time: 1,8 s for one B-scan (150 × faster in comparison to the CPU data processing time)

CUDA GPU based full-Stokes finite difference modelling of glaciers

NASA Astrophysics Data System (ADS)

Brædstrup, C. F.; Egholm, D. L.

2012-04-01

Many have stressed the limitations of using the shallow shelf and shallow ice approximations when modelling ice streams or surging glaciers. Using a full-stokes approach requires either large amounts of computer power or time and is therefore seldom an option for most glaciologists. Recent advances in graphics card (GPU) technology for high performance computing have proven extremely efficient in accelerating many large scale scientific computations. The general purpose GPU (GPGPU) technology is cheap, has a low power consumption and fits into a normal desktop computer. It could therefore provide a powerful tool for many glaciologists. Our full-stokes ice sheet model implements a Red-Black Gauss-Seidel iterative linear solver to solve the full stokes equations. This technique has proven very effective when applied to the stokes equation in geodynamics problems, and should therefore also preform well in glaciological flow probems. The Gauss-Seidel iterator is known to be robust but several other linear solvers have a much faster convergence. To aid convergence, the solver uses a multigrid approach where values are interpolated and extrapolated between different grid resolutions to minimize the short wavelength errors efficiently. This reduces the iteration count by several orders of magnitude. The run-time is further reduced by using the GPGPU technology where each card has up to 448 cores. Researchers utilizing the GPGPU technique in other areas have reported between 2 - 11 times speedup compared to multicore CPU implementations on similar problems. The goal of these initial investigations into the possible usage of GPGPU technology in glacial modelling is to apply the enhanced resolution of a full-stokes solver to ice streams and surging glaciers. This is a area of growing interest because ice streams are the main drainage conjugates for large ice sheets. It is therefore crucial to understand this streaming behavior and it's impact up-ice.

GPU accelerated real-time confocal fluorescence lifetime imaging microscopy (FLIM) based on the analog mean-delay (AMD) method

PubMed Central

Kim, Byungyeon; Park, Byungjun; Lee, Seungrag; Won, Youngjae

2016-01-01

We demonstrated GPU accelerated real-time confocal fluorescence lifetime imaging microscopy (FLIM) based on the analog mean-delay (AMD) method. Our algorithm was verified for various fluorescence lifetimes and photon numbers. The GPU processing time was faster than the physical scanning time for images up to 800 × 800, and more than 149 times faster than a single core CPU. The frame rate of our system was demonstrated to be 13 fps for a 200 × 200 pixel image when observing maize vascular tissue. This system can be utilized for observing dynamic biological reactions, medical diagnosis, and real-time industrial inspection. PMID:28018724

Graphics processing unit (GPU) real-time infrared scene generation

NASA Astrophysics Data System (ADS)

Christie, Chad L.; Gouthas, Efthimios (Themie); Williams, Owen M.

2007-04-01

VIRSuite, the GPU-based suite of software tools developed at DSTO for real-time infrared scene generation, is described. The tools include the painting of scene objects with radiometrically-associated colours, translucent object generation, polar plot validation and versatile scene generation. Special features include radiometric scaling within the GPU and the presence of zoom anti-aliasing at the core of VIRSuite. Extension of the zoom anti-aliasing construct to cover target embedding and the treatment of translucent objects is described.

Exploiting on-node heterogeneity for in-situ analytics of climate simulations via a functional partitioning framework

NASA Astrophysics Data System (ADS)

Sapra, Karan; Gupta, Saurabh; Atchley, Scott; Anantharaj, Valentine; Miller, Ross; Vazhkudai, Sudharshan

2016-04-01

Efficient resource utilization is critical for improved end-to-end computing and workflow of scientific applications. Heterogeneous node architectures, such as the GPU-enabled Titan supercomputer at the Oak Ridge Leadership Computing Facility (OLCF), present us with further challenges. In many HPC applications on Titan, the accelerators are the primary compute engines while the CPUs orchestrate the offloading of work onto the accelerators, and moving the output back to the main memory. On the other hand, applications that do not exploit GPUs, the CPU usage is dominant while the GPUs idle. We utilized Heterogenous Functional Partitioning (HFP) runtime framework that can optimize usage of resources on a compute node to expedite an application's end-to-end workflow. This approach is different from existing techniques for in-situ analyses in that it provides a framework for on-the-fly analysis on-node by dynamically exploiting under-utilized resources therein. We have implemented in the Community Earth System Model (CESM) a new concurrent diagnostic processing capability enabled by the HFP framework. Various single variate statistics, such as means and distributions, are computed in-situ by launching HFP tasks on the GPU via the node local HFP daemon. Since our current configuration of CESM does not use GPU resources heavily, we can move these tasks to GPU using the HFP framework. Each rank running the atmospheric model in CESM pushes the variables of of interest via HFP function calls to the HFP daemon. This node local daemon is responsible for receiving the data from main program and launching the designated analytics tasks on the GPU. We have implemented these analytics tasks in C and use OpenACC directives to enable GPU acceleration. This methodology is also advantageous while executing GPU-enabled configurations of CESM when the CPUs will be idle during portions of the runtime. In our implementation results, we demonstrate that it is more efficient to use HFP framework to offload the tasks to GPUs instead of doing it in the main application. We observe increased resource utilization and overall productivity in this approach by using HFP framework for end-to-end workflow.

Implementation and optimization of ultrasound signal processing algorithms on mobile GPU

NASA Astrophysics Data System (ADS)

Kong, Woo Kyu; Lee, Wooyoul; Kim, Kyu Cheol; Yoo, Yangmo; Song, Tai-Kyong

2014-03-01

A general-purpose graphics processing unit (GPGPU) has been used for improving computing power in medical ultrasound imaging systems. Recently, a mobile GPU becomes powerful to deal with 3D games and videos at high frame rates on Full HD or HD resolution displays. This paper proposes the method to implement ultrasound signal processing on a mobile GPU available in the high-end smartphone (Galaxy S4, Samsung Electronics, Seoul, Korea) with programmable shaders on the OpenGL ES 2.0 platform. To maximize the performance of the mobile GPU, the optimization of shader design and load sharing between vertex and fragment shader was performed. The beamformed data were captured from a tissue mimicking phantom (Model 539 Multipurpose Phantom, ATS Laboratories, Inc., Bridgeport, CT, USA) by using a commercial ultrasound imaging system equipped with a research package (Ultrasonix Touch, Ultrasonix, Richmond, BC, Canada). The real-time performance is evaluated by frame rates while varying the range of signal processing blocks. The implementation method of ultrasound signal processing on OpenGL ES 2.0 was verified by analyzing PSNR with MATLAB gold standard that has the same signal path. CNR was also analyzed to verify the method. From the evaluations, the proposed mobile GPU-based processing method has no significant difference with the processing using MATLAB (i.e., PSNR<52.51 dB). The comparable results of CNR were obtained from both processing methods (i.e., 11.31). From the mobile GPU implementation, the frame rates of 57.6 Hz were achieved. The total execution time was 17.4 ms that was faster than the acquisition time (i.e., 34.4 ms). These results indicate that the mobile GPU-based processing method can support real-time ultrasound B-mode processing on the smartphone.

Dense GPU-enhanced surface reconstruction from stereo endoscopic images for intraoperative registration.

PubMed

Rohl, Sebastian; Bodenstedt, Sebastian; Suwelack, Stefan; Dillmann, Rudiger; Speidel, Stefanie; Kenngott, Hannes; Muller-Stich, Beat P

2012-03-01

In laparoscopic surgery, soft tissue deformations substantially change the surgical site, thus impeding the use of preoperative planning during intraoperative navigation. Extracting depth information from endoscopic images and building a surface model of the surgical field-of-view is one way to represent this constantly deforming environment. The information can then be used for intraoperative registration. Stereo reconstruction is a typical problem within computer vision. However, most of the available methods do not fulfill the specific requirements in a minimally invasive setting such as the need of real-time performance, the problem of view-dependent specular reflections and large curved areas with partly homogeneous or periodic textures and occlusions. In this paper, the authors present an approach toward intraoperative surface reconstruction based on stereo endoscopic images. The authors describe our answer to this problem through correspondence analysis, disparity correction and refinement, 3D reconstruction, point cloud smoothing and meshing. Real-time performance is achieved by implementing the algorithms on the gpu. The authors also present a new hybrid cpu-gpu algorithm that unifies the advantages of the cpu and the gpu version. In a comprehensive evaluation using in vivo data, in silico data from the literature and virtual data from a newly developed simulation environment, the cpu, the gpu, and the hybrid cpu-gpu versions of the surface reconstruction are compared to a cpu and a gpu algorithm from the literature. The recommended approach toward intraoperative surface reconstruction can be conducted in real-time depending on the image resolution (20 fps for the gpu and 14fps for the hybrid cpu-gpu version on resolution of 640 × 480). It is robust to homogeneous regions without texture, large image changes, noise or errors from camera calibration, and it reconstructs the surface down to sub millimeter accuracy. In all the experiments within the simulation environment, the mean distance to ground truth data is between 0.05 and 0.6 mm for the hybrid cpu-gpu version. The hybrid cpu-gpu algorithm shows a much more superior performance than its cpu and gpu counterpart (mean distance reduction 26% and 45%, respectively, for the experiments in the simulation environment). The recommended approach for surface reconstruction is fast, robust, and accurate. It can represent changes in the intraoperative environment and can be used to adapt a preoperative model within the surgical site by registration of these two models.

GPU: the biggest key processor for AI and parallel processing

NASA Astrophysics Data System (ADS)

Baji, Toru

2017-07-01

Two types of processors exist in the market. One is the conventional CPU and the other is Graphic Processor Unit (GPU). Typical CPU is composed of 1 to 8 cores while GPU has thousands of cores. CPU is good for sequential processing, while GPU is good to accelerate software with heavy parallel executions. GPU was initially dedicated for 3D graphics. However from 2006, when GPU started to apply general-purpose cores, it was noticed that this architecture can be used as a general purpose massive-parallel processor. NVIDIA developed a software framework Compute Unified Device Architecture (CUDA) that make it possible to easily program the GPU for these application. With CUDA, GPU started to be used in workstations and supercomputers widely. Recently two key technologies are highlighted in the industry. The Artificial Intelligence (AI) and Autonomous Driving Cars. AI requires a massive parallel operation to train many-layers of neural networks. With CPU alone, it was impossible to finish the training in a practical time. The latest multi-GPU system with P100 makes it possible to finish the training in a few hours. For the autonomous driving cars, TOPS class of performance is required to implement perception, localization, path planning processing and again SoC with integrated GPU will play a key role there. In this paper, the evolution of the GPU which is one of the biggest commercial devices requiring state-of-the-art fabrication technology will be introduced. Also overview of the GPU demanding key application like the ones described above will be introduced.

Finite Element Optimization for Nondestructive Evaluation on a Graphics Processing Unit for Ground Vehicle Hull Inspection

DTIC Science & Technology

2013-08-22

4 cores, where the code may simultaneously run on the multiple cores or the graphics processing unit (or GPU – to be more specific on an NVIDIA ...allowed to get accurate crack shapes. DISCLAIMER Reference herein to any specific commercial company , product, process, or service by trade name

GPU-Accelerated Forward and Back-Projections with Spatially Varying Kernels for 3D DIRECT TOF PET Reconstruction.

PubMed

Ha, S; Matej, S; Ispiryan, M; Mueller, K

2013-02-01

We describe a GPU-accelerated framework that efficiently models spatially (shift) variant system response kernels and performs forward- and back-projection operations with these kernels for the DIRECT (Direct Image Reconstruction for TOF) iterative reconstruction approach. Inherent challenges arise from the poor memory cache performance at non-axis aligned TOF directions. Focusing on the GPU memory access patterns, we utilize different kinds of GPU memory according to these patterns in order to maximize the memory cache performance. We also exploit the GPU instruction-level parallelism to efficiently hide long latencies from the memory operations. Our experiments indicate that our GPU implementation of the projection operators has slightly faster or approximately comparable time performance than FFT-based approaches using state-of-the-art FFTW routines. However, most importantly, our GPU framework can also efficiently handle any generic system response kernels, such as spatially symmetric and shift-variant as well as spatially asymmetric and shift-variant, both of which an FFT-based approach cannot cope with.

GPU-Accelerated Forward and Back-Projections With Spatially Varying Kernels for 3D DIRECT TOF PET Reconstruction

NASA Astrophysics Data System (ADS)

Ha, S.; Matej, S.; Ispiryan, M.; Mueller, K.

2013-02-01

We describe a GPU-accelerated framework that efficiently models spatially (shift) variant system response kernels and performs forward- and back-projection operations with these kernels for the DIRECT (Direct Image Reconstruction for TOF) iterative reconstruction approach. Inherent challenges arise from the poor memory cache performance at non-axis aligned TOF directions. Focusing on the GPU memory access patterns, we utilize different kinds of GPU memory according to these patterns in order to maximize the memory cache performance. We also exploit the GPU instruction-level parallelism to efficiently hide long latencies from the memory operations. Our experiments indicate that our GPU implementation of the projection operators has slightly faster or approximately comparable time performance than FFT-based approaches using state-of-the-art FFTW routines. However, most importantly, our GPU framework can also efficiently handle any generic system response kernels, such as spatially symmetric and shift-variant as well as spatially asymmetric and shift-variant, both of which an FFT-based approach cannot cope with.

Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units—Radial Distribution Function Histogramming

PubMed Central

Stone, John E.; Kohlmeyer, Axel

2011-01-01

The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in the calculation of the RDF is building a histogram of the distance between atom pairs in each trajectory frame. Here we present an implementation of this histogramming scheme for multiple graphics processing units (GPUs). The algorithm features a tiling scheme to maximize the reuse of data at the fastest levels of the GPU’s memory hierarchy and dynamic load balancing to allow high performance on heterogeneous configurations of GPUs. Several versions of the RDF algorithm are presented, utilizing the specific hardware features found on different generations of GPUs. We take advantage of larger shared memory and atomic memory operations available on state-of-the-art GPUs to accelerate the code significantly. The use of atomic memory operations allows the fast, limited-capacity on-chip memory to be used much more efficiently, resulting in a fivefold increase in performance compared to the version of the algorithm without atomic operations. The ultimate version of the algorithm running in parallel on four NVIDIA GeForce GTX 480 (Fermi) GPUs was found to be 92 times faster than a multithreaded implementation running on an Intel Xeon 5550 CPU. On this multi-GPU hardware, the RDF between two selections of 1,000,000 atoms each can be calculated in 26.9 seconds per frame. The multi-GPU RDF algorithms described here are implemented in VMD, a widely used and freely available software package for molecular dynamics visualization and analysis. PMID:21547007

FastGCN: A GPU Accelerated Tool for Fast Gene Co-Expression Networks

PubMed Central

Liang, Meimei; Zhang, Futao; Jin, Gulei; Zhu, Jun

2015-01-01

Gene co-expression networks comprise one type of valuable biological networks. Many methods and tools have been published to construct gene co-expression networks; however, most of these tools and methods are inconvenient and time consuming for large datasets. We have developed a user-friendly, accelerated and optimized tool for constructing gene co-expression networks that can fully harness the parallel nature of GPU (Graphic Processing Unit) architectures. Genetic entropies were exploited to filter out genes with no or small expression changes in the raw data preprocessing step. Pearson correlation coefficients were then calculated. After that, we normalized these coefficients and employed the False Discovery Rate to control the multiple tests. At last, modules identification was conducted to construct the co-expression networks. All of these calculations were implemented on a GPU. We also compressed the coefficient matrix to save space. We compared the performance of the GPU implementation with those of multi-core CPU implementations with 16 CPU threads, single-thread C/C++ implementation and single-thread R implementation. Our results show that GPU implementation largely outperforms single-thread C/C++ implementation and single-thread R implementation, and GPU implementation outperforms multi-core CPU implementation when the number of genes increases. With the test dataset containing 16,000 genes and 590 individuals, we can achieve greater than 63 times the speed using a GPU implementation compared with a single-thread R implementation when 50 percent of genes were filtered out and about 80 times the speed when no genes were filtered out. PMID:25602758

FastGCN: a GPU accelerated tool for fast gene co-expression networks.

PubMed

Liang, Meimei; Zhang, Futao; Jin, Gulei; Zhu, Jun

2015-01-01

Gene co-expression networks comprise one type of valuable biological networks. Many methods and tools have been published to construct gene co-expression networks; however, most of these tools and methods are inconvenient and time consuming for large datasets. We have developed a user-friendly, accelerated and optimized tool for constructing gene co-expression networks that can fully harness the parallel nature of GPU (Graphic Processing Unit) architectures. Genetic entropies were exploited to filter out genes with no or small expression changes in the raw data preprocessing step. Pearson correlation coefficients were then calculated. After that, we normalized these coefficients and employed the False Discovery Rate to control the multiple tests. At last, modules identification was conducted to construct the co-expression networks. All of these calculations were implemented on a GPU. We also compressed the coefficient matrix to save space. We compared the performance of the GPU implementation with those of multi-core CPU implementations with 16 CPU threads, single-thread C/C++ implementation and single-thread R implementation. Our results show that GPU implementation largely outperforms single-thread C/C++ implementation and single-thread R implementation, and GPU implementation outperforms multi-core CPU implementation when the number of genes increases. With the test dataset containing 16,000 genes and 590 individuals, we can achieve greater than 63 times the speed using a GPU implementation compared with a single-thread R implementation when 50 percent of genes were filtered out and about 80 times the speed when no genes were filtered out.

Real-time generation of infrared ocean scene based on GPU

NASA Astrophysics Data System (ADS)

Jiang, Zhaoyi; Wang, Xun; Lin, Yun; Jin, Jianqiu

2007-12-01

Infrared (IR) image synthesis for ocean scene has become more and more important nowadays, especially for remote sensing and military application. Although a number of works present ready-to-use simulations, those techniques cover only a few possible ways of water interacting with the environment. And the detail calculation of ocean temperature is rarely considered by previous investigators. With the advance of programmable features of graphic card, many algorithms previously limited to offline processing have become feasible for real-time usage. In this paper, we propose an efficient algorithm for real-time rendering of infrared ocean scene using the newest features of programmable graphics processors (GPU). It differs from previous works in three aspects: adaptive GPU-based ocean surface tessellation, sophisticated balance equation of thermal balance for ocean surface, and GPU-based rendering for infrared ocean scene. Finally some results of infrared image are shown, which are in good accordance with real images.

Efficient computation of k-Nearest Neighbour Graphs for large high-dimensional data sets on GPU clusters.

PubMed

Dashti, Ali; Komarov, Ivan; D'Souza, Roshan M

2013-01-01

This paper presents an implementation of the brute-force exact k-Nearest Neighbor Graph (k-NNG) construction for ultra-large high-dimensional data cloud. The proposed method uses Graphics Processing Units (GPUs) and is scalable with multi-levels of parallelism (between nodes of a cluster, between different GPUs on a single node, and within a GPU). The method is applicable to homogeneous computing clusters with a varying number of nodes and GPUs per node. We achieve a 6-fold speedup in data processing as compared with an optimized method running on a cluster of CPUs and bring a hitherto impossible [Formula: see text]-NNG generation for a dataset of twenty million images with 15 k dimensionality into the realm of practical possibility.

Tempest: Accelerated MS/MS database search software for heterogeneous computing platforms

PubMed Central

Adamo, Mark E.; Gerber, Scott A.

2017-01-01

MS/MS database search algorithms derive a set of candidate peptide sequences from in-silico digest of a protein sequence database, and compute theoretical fragmentation patterns to match these candidates against observed MS/MS spectra. The original Tempest publication described these operations mapped to a CPU-GPU model, in which the CPU generates peptide candidates that are asynchronously sent to a discrete GPU to be scored against experimental spectra in parallel (Milloy et al., 2012). The current version of Tempest expands this model, incorporating OpenCL to offer seamless parallelization across multicore CPUs, GPUs, integrated graphics chips, and general-purpose coprocessors. Three protocols describe how to configure and run a Tempest search, including discussion of how to leverage Tempest's unique feature set to produce optimal results. PMID:27603022

A GPU-Parallelized Eigen-Based Clutter Filter Framework for Ultrasound Color Flow Imaging.

PubMed

Chee, Adrian J Y; Yiu, Billy Y S; Yu, Alfred C H

2017-01-01

Eigen-filters with attenuation response adapted to clutter statistics in color flow imaging (CFI) have shown improved flow detection sensitivity in the presence of tissue motion. Nevertheless, its practical adoption in clinical use is not straightforward due to the high computational cost for solving eigendecompositions. Here, we provide a pedagogical description of how a real-time computing framework for eigen-based clutter filtering can be developed through a single-instruction, multiple data (SIMD) computing approach that can be implemented on a graphical processing unit (GPU). Emphasis is placed on the single-ensemble-based eigen-filtering approach (Hankel singular value decomposition), since it is algorithmically compatible with GPU-based SIMD computing. The key algebraic principles and the corresponding SIMD algorithm are explained, and annotations on how such algorithm can be rationally implemented on the GPU are presented. Real-time efficacy of our framework was experimentally investigated on a single GPU device (GTX Titan X), and the computing throughput for varying scan depths and slow-time ensemble lengths was studied. Using our eigen-processing framework, real-time video-range throughput (24 frames/s) can be attained for CFI frames with full view in azimuth direction (128 scanlines), up to a scan depth of 5 cm ( λ pixel axial spacing) for slow-time ensemble length of 16 samples. The corresponding CFI image frames, with respect to the ones derived from non-adaptive polynomial regression clutter filtering, yielded enhanced flow detection sensitivity in vivo, as demonstrated in a carotid imaging case example. These findings indicate that the GPU-enabled eigen-based clutter filtering can improve CFI flow detection performance in real time.

GPU-based High-Performance Computing for Radiation Therapy

PubMed Central

Jia, Xun; Ziegenhein, Peter; Jiang, Steve B.

2014-01-01

Recent developments in radiotherapy therapy demand high computation powers to solve challenging problems in a timely fashion in a clinical environment. Graphics processing unit (GPU), as an emerging high-performance computing platform, has been introduced to radiotherapy. It is particularly attractive due to its high computational power, small size, and low cost for facility deployment and maintenance. Over the past a few years, GPU-based high-performance computing in radiotherapy has experienced rapid developments. A tremendous amount of studies have been conducted, in which large acceleration factors compared with the conventional CPU platform have been observed. In this article, we will first give a brief introduction to the GPU hardware structure and programming model. We will then review the current applications of GPU in major imaging-related and therapy-related problems encountered in radiotherapy. A comparison of GPU with other platforms will also be presented. PMID:24486639

HASEonGPU-An adaptive, load-balanced MPI/GPU-code for calculating the amplified spontaneous emission in high power laser media

NASA Astrophysics Data System (ADS)

Eckert, C. H. J.; Zenker, E.; Bussmann, M.; Albach, D.

2016-10-01

We present an adaptive Monte Carlo algorithm for computing the amplified spontaneous emission (ASE) flux in laser gain media pumped by pulsed lasers. With the design of high power lasers in mind, which require large size gain media, we have developed the open source code HASEonGPU that is capable of utilizing multiple graphic processing units (GPUs). With HASEonGPU, time to solution is reduced to minutes on a medium size GPU cluster of 64 NVIDIA Tesla K20m GPUs and excellent speedup is achieved when scaling to multiple GPUs. Comparison of simulation results to measurements of ASE in Y b 3 + : Y AG ceramics show perfect agreement.

GPU-Based Real-Time Volumetric Ultrasound Image Reconstruction for a Ring Array

PubMed Central

Choe, Jung Woo; Nikoozadeh, Amin; Oralkan, Ömer; Khuri-Yakub, Butrus T.

2014-01-01

Synthetic phased array (SPA) beamforming with Hadamard coding and aperture weighting is an optimal option for real-time volumetric imaging with a ring array, a particularly attractive geometry in intracardiac and intravascular applications. However, the imaging frame rate of this method is limited by the immense computational load required in synthetic beamforming. For fast imaging with a ring array, we developed graphics processing unit (GPU)-based, real-time image reconstruction software that exploits massive data-level parallelism in beamforming operations. The GPU-based software reconstructs and displays three cross-sectional images at 45 frames per second (fps). This frame rate is 4.5 times higher than that for our previously-developed multi-core CPU-based software. In an alternative imaging mode, it shows one B-mode image rotating about the axis and its maximum intensity projection (MIP), processed at a rate of 104 fps. This paper describes the image reconstruction procedure on the GPU platform and presents the experimental images obtained using this software. PMID:23529080

GPU applications for data processing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vladymyrov, Mykhailo, E-mail: mykhailo.vladymyrov@cern.ch; Aleksandrov, Andrey; INFN sezione di Napoli, I-80125 Napoli

2015-12-31

Modern experiments that use nuclear photoemulsion imply fast and efficient data acquisition from the emulsion can be performed. The new approaches in developing scanning systems require real-time processing of large amount of data. Methods that use Graphical Processing Unit (GPU) computing power for emulsion data processing are presented here. It is shown how the GPU-accelerated emulsion processing helped us to rise the scanning speed by factor of nine.

A High Performance Computing Framework for Physics-based Modeling and Simulation of Military Ground Vehicles

DTIC Science & Technology

2011-03-25

number one and Nebulae at number three. Both systems rely on GPU co-processing and use Intel Xeon processors cards and NVIDIA Tesla C2050 GPUs. In...spite of a theoretical peak capability of almost 3 Petaflop/s, Nebulae clocked at 1.271 PFlop/s when running the Linpack benchmark, which puts it

GPU Accelerated Clustering for Arbitrary Shapes in Geoscience Data

NASA Astrophysics Data System (ADS)

Pankratius, V.; Gowanlock, M.; Rude, C. M.; Li, J. D.

2016-12-01

Clustering algorithms have become a vital component in intelligent systems for geoscience that helps scientists discover and track phenomena of various kinds. Here, we outline advances in Density-Based Spatial Clustering of Applications with Noise (DBSCAN) which detects clusters of arbitrary shape that are common in geospatial data. In particular, we propose a hybrid CPU-GPU implementation of DBSCAN and highlight new optimization approaches on the GPU that allows clustering detection in parallel while optimizing data transport during CPU-GPU interactions. We employ an efficient batching scheme between the host and GPU such that limited GPU memory is not prohibitive when processing large and/or dense datasets. To minimize data transfer overhead, we estimate the total workload size and employ an execution that generates optimized batches that will not overflow the GPU buffer. This work is demonstrated on space weather Total Electron Content (TEC) datasets containing over 5 million measurements from instruments worldwide, and allows scientists to spot spatially coherent phenomena with ease. Our approach is up to 30 times faster than a sequential implementation and therefore accelerates discoveries in large datasets. We acknowledge support from NSF ACI-1442997.

Use of a graphics processing unit (GPU) to facilitate real-time 3D graphic presentation of the patient skin-dose distribution during fluoroscopic interventional procedures

PubMed Central

Rana, Vijay; Rudin, Stephen; Bednarek, Daniel R.

2012-01-01

We have developed a dose-tracking system (DTS) that calculates the radiation dose to the patient’s skin in real-time by acquiring exposure parameters and imaging-system-geometry from the digital bus on a Toshiba Infinix C-arm unit. The cumulative dose values are then displayed as a color map on an OpenGL-based 3D graphic of the patient for immediate feedback to the interventionalist. Determination of those elements on the surface of the patient 3D-graphic that intersect the beam and calculation of the dose for these elements in real time demands fast computation. Reducing the size of the elements results in more computation load on the computer processor and therefore a tradeoff occurs between the resolution of the patient graphic and the real-time performance of the DTS. The speed of the DTS for calculating dose to the skin is limited by the central processing unit (CPU) and can be improved by using the parallel processing power of a graphics processing unit (GPU). Here, we compare the performance speed of GPU-based DTS software to that of the current CPU-based software as a function of the resolution of the patient graphics. Results show a tremendous improvement in speed using the GPU. While an increase in the spatial resolution of the patient graphics resulted in slowing down the computational speed of the DTS on the CPU, the speed of the GPU-based DTS was hardly affected. This GPU-based DTS can be a powerful tool for providing accurate, real-time feedback about patient skin-dose to physicians while performing interventional procedures. PMID:24027616

CUDA-based high-performance computing of the S-BPF algorithm with no-waiting pipelining

NASA Astrophysics Data System (ADS)

Deng, Lin; Yan, Bin; Chang, Qingmei; Han, Yu; Zhang, Xiang; Xi, Xiaoqi; Li, Lei

2015-10-01

The backprojection-filtration (BPF) algorithm has become a good solution for local reconstruction in cone-beam computed tomography (CBCT). However, the reconstruction speed of BPF is a severe limitation for clinical applications. The selective-backprojection filtration (S-BPF) algorithm is developed to improve the parallel performance of BPF by selective backprojection. Furthermore, the general-purpose graphics processing unit (GP-GPU) is a popular tool for accelerating the reconstruction. Much work has been performed aiming for the optimization of the cone-beam back-projection. As the cone-beam back-projection process becomes faster, the data transportation holds a much bigger time proportion in the reconstruction than before. This paper focuses on minimizing the total time in the reconstruction with the S-BPF algorithm by hiding the data transportation among hard disk, CPU and GPU. And based on the analysis of the S-BPF algorithm, some strategies are implemented: (1) the asynchronous calls are used to overlap the implemention of CPU and GPU, (2) an innovative strategy is applied to obtain the DBP image to hide the transport time effectively, (3) two streams for data transportation and calculation are synchronized by the cudaEvent in the inverse of finite Hilbert transform on GPU. Our main contribution is a smart reconstruction of the S-BPF algorithm with GPU's continuous calculation and no data transportation time cost. a 5123 volume is reconstructed in less than 0.7 second on a single Tesla-based K20 GPU from 182 views projection with 5122 pixel per projection. The time cost of our implementation is about a half of that without the overlap behavior.

Use of a graphics processing unit (GPU) to facilitate real-time 3D graphic presentation of the patient skin-dose distribution during fluoroscopic interventional procedures.

PubMed

Rana, Vijay; Rudin, Stephen; Bednarek, Daniel R

2012-02-23

We have developed a dose-tracking system (DTS) that calculates the radiation dose to the patient's skin in real-time by acquiring exposure parameters and imaging-system-geometry from the digital bus on a Toshiba Infinix C-arm unit. The cumulative dose values are then displayed as a color map on an OpenGL-based 3D graphic of the patient for immediate feedback to the interventionalist. Determination of those elements on the surface of the patient 3D-graphic that intersect the beam and calculation of the dose for these elements in real time demands fast computation. Reducing the size of the elements results in more computation load on the computer processor and therefore a tradeoff occurs between the resolution of the patient graphic and the real-time performance of the DTS. The speed of the DTS for calculating dose to the skin is limited by the central processing unit (CPU) and can be improved by using the parallel processing power of a graphics processing unit (GPU). Here, we compare the performance speed of GPU-based DTS software to that of the current CPU-based software as a function of the resolution of the patient graphics. Results show a tremendous improvement in speed using the GPU. While an increase in the spatial resolution of the patient graphics resulted in slowing down the computational speed of the DTS on the CPU, the speed of the GPU-based DTS was hardly affected. This GPU-based DTS can be a powerful tool for providing accurate, real-time feedback about patient skin-dose to physicians while performing interventional procedures.

Graphics Processing Unit Acceleration of Gyrokinetic Turbulence Simulations

NASA Astrophysics Data System (ADS)

Hause, Benjamin; Parker, Scott

2012-10-01

We find a substantial increase in on-node performance using Graphics Processing Unit (GPU) acceleration in gyrokinetic delta-f particle-in-cell simulation. Optimization is performed on a two-dimensional slab gyrokinetic particle simulation using the Portland Group Fortran compiler with the GPU accelerator compiler directives. We have implemented the GPU acceleration on a Core I7 gaming PC with a NVIDIA GTX 580 GPU. We find comparable, or better, acceleration relative to the NERSC DIRAC cluster with the NVIDIA Tesla C2050 computing processor. The Tesla C 2050 is about 2.6 times more expensive than the GTX 580 gaming GPU. Optimization strategies and comparisons between DIRAC and the gaming PC will be presented. We will also discuss progress on optimizing the comprehensive three dimensional general geometry GEM code.

GPU-based parallel algorithm for blind image restoration using midfrequency-based methods

NASA Astrophysics Data System (ADS)

Xie, Lang; Luo, Yi-han; Bao, Qi-liang

2013-08-01

GPU-based general-purpose computing is a new branch of modern parallel computing, so the study of parallel algorithms specially designed for GPU hardware architecture is of great significance. In order to solve the problem of high computational complexity and poor real-time performance in blind image restoration, the midfrequency-based algorithm for blind image restoration was analyzed and improved in this paper. Furthermore, a midfrequency-based filtering method is also used to restore the image hardly with any recursion or iteration. Combining the algorithm with data intensiveness, data parallel computing and GPU execution model of single instruction and multiple threads, a new parallel midfrequency-based algorithm for blind image restoration is proposed in this paper, which is suitable for stream computing of GPU. In this algorithm, the GPU is utilized to accelerate the estimation of class-G point spread functions and midfrequency-based filtering. Aiming at better management of the GPU threads, the threads in a grid are scheduled according to the decomposition of the filtering data in frequency domain after the optimization of data access and the communication between the host and the device. The kernel parallelism structure is determined by the decomposition of the filtering data to ensure the transmission rate to get around the memory bandwidth limitation. The results show that, with the new algorithm, the operational speed is significantly increased and the real-time performance of image restoration is effectively improved, especially for high-resolution images.

CUDASW++ 3.0: accelerating Smith-Waterman protein database search by coupling CPU and GPU SIMD instructions.

PubMed

Liu, Yongchao; Wirawan, Adrianto; Schmidt, Bertil

2013-04-04

The maximal sensitivity for local alignments makes the Smith-Waterman algorithm a popular choice for protein sequence database search based on pairwise alignment. However, the algorithm is compute-intensive due to a quadratic time complexity. Corresponding runtimes are further compounded by the rapid growth of sequence databases. We present CUDASW++ 3.0, a fast Smith-Waterman protein database search algorithm, which couples CPU and GPU SIMD instructions and carries out concurrent CPU and GPU computations. For the CPU computation, this algorithm employs SSE-based vector execution units as accelerators. For the GPU computation, we have investigated for the first time a GPU SIMD parallelization, which employs CUDA PTX SIMD video instructions to gain more data parallelism beyond the SIMT execution model. Moreover, sequence alignment workloads are automatically distributed over CPUs and GPUs based on their respective compute capabilities. Evaluation on the Swiss-Prot database shows that CUDASW++ 3.0 gains a performance improvement over CUDASW++ 2.0 up to 2.9 and 3.2, with a maximum performance of 119.0 and 185.6 GCUPS, on a single-GPU GeForce GTX 680 and a dual-GPU GeForce GTX 690 graphics card, respectively. In addition, our algorithm has demonstrated significant speedups over other top-performing tools: SWIPE and BLAST+. CUDASW++ 3.0 is written in CUDA C++ and PTX assembly languages, targeting GPUs based on the Kepler architecture. This algorithm obtains significant speedups over its predecessor: CUDASW++ 2.0, by benefiting from the use of CPU and GPU SIMD instructions as well as the concurrent execution on CPUs and GPUs. The source code and the simulated data are available at http://cudasw.sourceforge.net.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beltran, C; Kamal, H

Purpose: To provide a multicriteria optimization algorithm for intensity modulated radiation therapy using pencil proton beam scanning. Methods: Intensity modulated radiation therapy using pencil proton beam scanning requires efficient optimization algorithms to overcome the uncertainties in the Bragg peaks locations. This work is focused on optimization algorithms that are based on Monte Carlo simulation of the treatment planning and use the weights and the dose volume histogram (DVH) control points to steer toward desired plans. The proton beam treatment planning process based on single objective optimization (representing a weighted sum of multiple objectives) usually leads to time-consuming iterations involving treatmentmore » planning team members. We proved a time efficient multicriteria optimization algorithm that is developed to run on NVIDIA GPU (Graphical Processing Units) cluster. The multicriteria optimization algorithm running time benefits from up-sampling of the CT voxel size of the calculations without loss of fidelity. Results: We will present preliminary results of Multicriteria optimization for intensity modulated proton therapy based on DVH control points. The results will show optimization results of a phantom case and a brain tumor case. Conclusion: The multicriteria optimization of the intensity modulated radiation therapy using pencil proton beam scanning provides a novel tool for treatment planning. Work support by a grant from Varian Inc.« less

Accelerating sino-atrium computer simulations with graphic processing units.

PubMed

Zhang, Hong; Xiao, Zheng; Lin, Shien-fong

2015-01-01

Sino-atrial node cells (SANCs) play a significant role in rhythmic firing. To investigate their role in arrhythmia and interactions with the atrium, computer simulations based on cellular dynamic mathematical models are generally used. However, the large-scale computation usually makes research difficult, given the limited computational power of Central Processing Units (CPUs). In this paper, an accelerating approach with Graphic Processing Units (GPUs) is proposed in a simulation consisting of the SAN tissue and the adjoining atrium. By using the operator splitting method, the computational task was made parallel. Three parallelization strategies were then put forward. The strategy with the shortest running time was further optimized by considering block size, data transfer and partition. The results showed that for a simulation with 500 SANCs and 30 atrial cells, the execution time taken by the non-optimized program decreased 62% with respect to a serial program running on CPU. The execution time decreased by 80% after the program was optimized. The larger the tissue was, the more significant the acceleration became. The results demonstrated the effectiveness of the proposed GPU-accelerating methods and their promising applications in more complicated biological simulations.

Musrfit-Real Time Parameter Fitting Using GPUs

NASA Astrophysics Data System (ADS)

Locans, Uldis; Suter, Andreas

High transverse field μSR (HTF-μSR) experiments typically lead to a rather large data sets, since it is necessary to follow the high frequencies present in the positron decay histograms. The analysis of these data sets can be very time consuming, usually due to the limited computational power of the hardware. To overcome the limited computing resources rotating reference frame transformation (RRF) is often used to reduce the data sets that need to be handled. This comes at a price typically the μSR community is not aware of: (i) due to the RRF transformation the fitting parameter estimate is of poorer precision, i.e., more extended expensive beamtime is needed. (ii) RRF introduces systematic errors which hampers the statistical interpretation of χ2 or the maximum log-likelihood. We will briefly discuss these issues in a non-exhaustive practical way. The only and single purpose of the RRF transformation is the sluggish computer power. Therefore during this work GPU (Graphical Processing Units) based fitting was developed which allows to perform real-time full data analysis without RRF. GPUs have become increasingly popular in scientific computing in recent years. Due to their highly parallel architecture they provide the opportunity to accelerate many applications with considerably less costs than upgrading the CPU computational power. With the emergence of frameworks such as CUDA and OpenCL these devices have become more easily programmable. During this work GPU support was added to Musrfit- a data analysis framework for μSR experiments. The new fitting algorithm uses CUDA or OpenCL to offload the most time consuming parts of the calculations to Nvidia or AMD GPUs. Using the current CPU implementation in Musrfit parameter fitting can take hours for certain data sets while the GPU version can allow to perform real-time data analysis on the same data sets. This work describes the challenges that arise in adding the GPU support to t as well as results obtained using the GPU version. The speedups using the GPU were measured comparing to the CPU implementation. Two different GPUs were used for the comparison — high end Nvidia Tesla K40c GPU designed for HPC applications and AMD Radeon R9 390× GPU designed for gaming industry.

GPU accelerated manifold correction method for spinning compact binaries

NASA Astrophysics Data System (ADS)

Ran, Chong-xi; Liu, Song; Zhong, Shuang-ying

2018-04-01

The graphics processing unit (GPU) acceleration of the manifold correction algorithm based on the compute unified device architecture (CUDA) technology is designed to simulate the dynamic evolution of the Post-Newtonian (PN) Hamiltonian formulation of spinning compact binaries. The feasibility and the efficiency of parallel computation on GPU have been confirmed by various numerical experiments. The numerical comparisons show that the accuracy on GPU execution of manifold corrections method has a good agreement with the execution of codes on merely central processing unit (CPU-based) method. The acceleration ability when the codes are implemented on GPU can increase enormously through the use of shared memory and register optimization techniques without additional hardware costs, implying that the speedup is nearly 13 times as compared with the codes executed on CPU for phase space scan (including 314 × 314 orbits). In addition, GPU-accelerated manifold correction method is used to numerically study how dynamics are affected by the spin-induced quadrupole-monopole interaction for black hole binary system.

Real-time plasma control based on the ISTTOK tomography diagnostica)

NASA Astrophysics Data System (ADS)

Carvalho, P. J.; Carvalho, B. B.; Neto, A.; Coelho, R.; Fernandes, H.; Sousa, J.; Varandas, C.; Chávez-Alarcón, E.; Herrera-Velázquez, J. J. E.

2008-10-01

The presently available processing power in generic processing units (GPUs) combined with state-of-the-art programmable logic devices benefits the implementation of complex, real-time driven, data processing algorithms for plasma diagnostics. A tomographic reconstruction diagnostic has been developed for the ISTTOK tokamak, based on three linear pinhole cameras each with ten lines of sight. The plasma emissivity in a poloidal cross section is computed locally on a submillisecond time scale, using a Fourier-Bessel algorithm, allowing the use of the output signals for active plasma position control. The data acquisition and reconstruction (DAR) system is based on ATCA technology and consists of one acquisition board with integrated field programmable gate array (FPGA) capabilities and a dual-core Pentium module running real-time application interface (RTAI) Linux. In this paper, the DAR real-time firmware/software implementation is presented, based on (i) front-end digital processing in the FPGA; (ii) a device driver specially developed for the board which enables streaming data acquisition to the host GPU; and (iii) a fast reconstruction algorithm running in Linux RTAI. This system behaves as a module of the central ISTTOK control and data acquisition system (FIRESIGNAL). Preliminary results of the above experimental setup are presented and a performance benchmarking against the magnetic coil diagnostic is shown.

Real-Time Compressive Sensing MRI Reconstruction Using GPU Computing and Split Bregman Methods

PubMed Central

Smith, David S.; Gore, John C.; Yankeelov, Thomas E.; Welch, E. Brian

2012-01-01

Compressive sensing (CS) has been shown to enable dramatic acceleration of MRI acquisition in some applications. Being an iterative reconstruction technique, CS MRI reconstructions can be more time-consuming than traditional inverse Fourier reconstruction. We have accelerated our CS MRI reconstruction by factors of up to 27 by using a split Bregman solver combined with a graphics processing unit (GPU) computing platform. The increases in speed we find are similar to those we measure for matrix multiplication on this platform, suggesting that the split Bregman methods parallelize efficiently. We demonstrate that the combination of the rapid convergence of the split Bregman algorithm and the massively parallel strategy of GPU computing can enable real-time CS reconstruction of even acquisition data matrices of dimension 40962 or more, depending on available GPU VRAM. Reconstruction of two-dimensional data matrices of dimension 10242 and smaller took ~0.3 s or less, showing that this platform also provides very fast iterative reconstruction for small-to-moderate size images. PMID:22481908

Real-Time Compressive Sensing MRI Reconstruction Using GPU Computing and Split Bregman Methods.

PubMed

Smith, David S; Gore, John C; Yankeelov, Thomas E; Welch, E Brian

2012-01-01

Compressive sensing (CS) has been shown to enable dramatic acceleration of MRI acquisition in some applications. Being an iterative reconstruction technique, CS MRI reconstructions can be more time-consuming than traditional inverse Fourier reconstruction. We have accelerated our CS MRI reconstruction by factors of up to 27 by using a split Bregman solver combined with a graphics processing unit (GPU) computing platform. The increases in speed we find are similar to those we measure for matrix multiplication on this platform, suggesting that the split Bregman methods parallelize efficiently. We demonstrate that the combination of the rapid convergence of the split Bregman algorithm and the massively parallel strategy of GPU computing can enable real-time CS reconstruction of even acquisition data matrices of dimension 4096(2) or more, depending on available GPU VRAM. Reconstruction of two-dimensional data matrices of dimension 1024(2) and smaller took ~0.3 s or less, showing that this platform also provides very fast iterative reconstruction for small-to-moderate size images.

GPU-based multi-volume ray casting within VTK for medical applications.

PubMed

Bozorgi, Mohammadmehdi; Lindseth, Frank

2015-03-01

Multi-volume visualization is important for displaying relevant information in multimodal or multitemporal medical imaging studies. The main objective with the current study was to develop an efficient GPU-based multi-volume ray caster (MVRC) and validate the proposed visualization system in the context of image-guided surgical navigation. Ray casting can produce high-quality 2D images from 3D volume data but the method is computationally demanding, especially when multiple volumes are involved, so a parallel GPU version has been implemented. In the proposed MVRC, imaginary rays are sent through the volumes (one ray for each pixel in the view), and at equal and short intervals along the rays, samples are collected from each volume. Samples from all the volumes are composited using front to back α-blending. Since all the rays can be processed simultaneously, the MVRC was implemented in parallel on the GPU to achieve acceptable interactive frame rates. The method is fully integrated within the visualization toolkit (VTK) pipeline with the ability to apply different operations (e.g., transformations, clipping, and cropping) on each volume separately. The implemented method is cross-platform (Windows, Linux and Mac OSX) and runs on different graphics card (NVidia and AMD). The speed of the MVRC was tested with one to five volumes of varying sizes: 128(3), 256(3), and 512(3). A Tesla C2070 GPU was used, and the output image size was 600 × 600 pixels. The original VTK single-volume ray caster and the MVRC were compared when rendering only one volume. The multi-volume rendering system achieved an interactive frame rate (> 15 fps) when rendering five small volumes (128 (3) voxels), four medium-sized volumes (256(3) voxels), and two large volumes (512(3) voxels). When rendering single volumes, the frame rate of the MVRC was comparable to the original VTK ray caster for small and medium-sized datasets but was approximately 3 frames per second slower for large datasets. The MVRC was successfully integrated in an existing surgical navigation system and was shown to be clinically useful during an ultrasound-guided neurosurgical tumor resection. A GPU-based MVRC for VTK is a useful tool in medical visualization. The proposed multi-volume GPU-based ray caster for VTK provided high-quality images at reasonable frame rates. The MVRC was effective when used in a neurosurgical navigation application.

GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations.

PubMed

Maia, Julio Daniel Carvalho; Urquiza Carvalho, Gabriel Aires; Mangueira, Carlos Peixoto; Santana, Sidney Ramos; Cabral, Lucidio Anjos Formiga; Rocha, Gerd B

2012-09-11

In this study, we present some modifications in the semiempirical quantum chemistry MOPAC2009 code that accelerate single-point energy calculations (1SCF) of medium-size (up to 2500 atoms) molecular systems using GPU coprocessors and multithreaded shared-memory CPUs. Our modifications consisted of using a combination of highly optimized linear algebra libraries for both CPU (LAPACK and BLAS from Intel MKL) and GPU (MAGMA and CUBLAS) to hasten time-consuming parts of MOPAC such as the pseudodiagonalization, full diagonalization, and density matrix assembling. We have shown that it is possible to obtain large speedups just by using CPU serial linear algebra libraries in the MOPAC code. As a special case, we show a speedup of up to 14 times for a methanol simulation box containing 2400 atoms and 4800 basis functions, with even greater gains in performance when using multithreaded CPUs (2.1 times in relation to the single-threaded CPU code using linear algebra libraries) and GPUs (3.8 times). This degree of acceleration opens new perspectives for modeling larger structures which appear in inorganic chemistry (such as zeolites and MOFs), biochemistry (such as polysaccharides, small proteins, and DNA fragments), and materials science (such as nanotubes and fullerenes). In addition, we believe that this parallel (GPU-GPU) MOPAC code will make it feasible to use semiempirical methods in lengthy molecular simulations using both hybrid QM/MM and QM/QM potentials.

Dataflow-Based Implementation of Layered Sensing Applications on High-Performance Embedded Processors

DTIC Science & Technology

2013-03-01

time (milliseconds) GFlops Comparison to GPU peak performance (%) Cascade Gaussian Filtering 13 45.19 6.3 Difference of Gaussian 0.512 152...values for the GPU-targeted actor implementations in terms of Giga Floating Point Operations Per Second ( GFLOPS ). Our GFLOPS calculation for an actor...kernels. The results for GFLOPS are provided in Table . The actors were implemented on an NVIDIA GTX260 GPU, which provides 715 GFLOPS as peak

Performance and scalability of Fourier domain optical coherence tomography acceleration using graphics processing units.

PubMed

Li, Jian; Bloch, Pavel; Xu, Jing; Sarunic, Marinko V; Shannon, Lesley

2011-05-01

Fourier domain optical coherence tomography (FD-OCT) provides faster line rates, better resolution, and higher sensitivity for noninvasive, in vivo biomedical imaging compared to traditional time domain OCT (TD-OCT). However, because the signal processing for FD-OCT is computationally intensive, real-time FD-OCT applications demand powerful computing platforms to deliver acceptable performance. Graphics processing units (GPUs) have been used as coprocessors to accelerate FD-OCT by leveraging their relatively simple programming model to exploit thread-level parallelism. Unfortunately, GPUs do not "share" memory with their host processors, requiring additional data transfers between the GPU and CPU. In this paper, we implement a complete FD-OCT accelerator on a consumer grade GPU/CPU platform. Our data acquisition system uses spectrometer-based detection and a dual-arm interferometer topology with numerical dispersion compensation for retinal imaging. We demonstrate that the maximum line rate is dictated by the memory transfer time and not the processing time due to the GPU platform's memory model. Finally, we discuss how the performance trends of GPU-based accelerators compare to the expected future requirements of FD-OCT data rates.

Bin recycling strategy for improving the histogram precision on GPU

NASA Astrophysics Data System (ADS)

Cárdenas-Montes, Miguel; Rodríguez-Vázquez, Juan José; Vega-Rodríguez, Miguel A.

2016-07-01

Histogram is an easily comprehensible way to present data and analyses. In the current scientific context with access to large volumes of data, the processing time for building histogram has dramatically increased. For this reason, parallel construction is necessary to alleviate the impact of the processing time in the analysis activities. In this scenario, GPU computing is becoming widely used for reducing until affordable levels the processing time of histogram construction. Associated to the increment of the processing time, the implementations are stressed on the bin-count accuracy. Accuracy aspects due to the particularities of the implementations are not usually taken into consideration when building histogram with very large data sets. In this work, a bin recycling strategy to create an accuracy-aware implementation for building histogram on GPU is presented. In order to evaluate the approach, this strategy was applied to the computation of the three-point angular correlation function, which is a relevant function in Cosmology for the study of the Large Scale Structure of Universe. As a consequence of the study a high-accuracy implementation for histogram construction on GPU is proposed.

cudaMap: a GPU accelerated program for gene expression connectivity mapping.

PubMed

McArt, Darragh G; Bankhead, Peter; Dunne, Philip D; Salto-Tellez, Manuel; Hamilton, Peter; Zhang, Shu-Dong

2013-10-11

Modern cancer research often involves large datasets and the use of sophisticated statistical techniques. Together these add a heavy computational load to the analysis, which is often coupled with issues surrounding data accessibility. Connectivity mapping is an advanced bioinformatic and computational technique dedicated to therapeutics discovery and drug re-purposing around differential gene expression analysis. On a normal desktop PC, it is common for the connectivity mapping task with a single gene signature to take > 2h to complete using sscMap, a popular Java application that runs on standard CPUs (Central Processing Units). Here, we describe new software, cudaMap, which has been implemented using CUDA C/C++ to harness the computational power of NVIDIA GPUs (Graphics Processing Units) to greatly reduce processing times for connectivity mapping. cudaMap can identify candidate therapeutics from the same signature in just over thirty seconds when using an NVIDIA Tesla C2050 GPU. Results from the analysis of multiple gene signatures, which would previously have taken several days, can now be obtained in as little as 10 minutes, greatly facilitating candidate therapeutics discovery with high throughput. We are able to demonstrate dramatic speed differentials between GPU assisted performance and CPU executions as the computational load increases for high accuracy evaluation of statistical significance. Emerging 'omics' technologies are constantly increasing the volume of data and information to be processed in all areas of biomedical research. Embracing the multicore functionality of GPUs represents a major avenue of local accelerated computing. cudaMap will make a strong contribution in the discovery of candidate therapeutics by enabling speedy execution of heavy duty connectivity mapping tasks, which are increasingly required in modern cancer research. cudaMap is open source and can be freely downloaded from http://purl.oclc.org/NET/cudaMap.

Multi-GPU implementation of a VMAT treatment plan optimization algorithm.

PubMed

Tian, Zhen; Peng, Fei; Folkerts, Michael; Tan, Jun; Jia, Xun; Jiang, Steve B

2015-06-01

Volumetric modulated arc therapy (VMAT) optimization is a computationally challenging problem due to its large data size, high degrees of freedom, and many hardware constraints. High-performance graphics processing units (GPUs) have been used to speed up the computations. However, GPU's relatively small memory size cannot handle cases with a large dose-deposition coefficient (DDC) matrix in cases of, e.g., those with a large target size, multiple targets, multiple arcs, and/or small beamlet size. The main purpose of this paper is to report an implementation of a column-generation-based VMAT algorithm, previously developed in the authors' group, on a multi-GPU platform to solve the memory limitation problem. While the column-generation-based VMAT algorithm has been previously developed, the GPU implementation details have not been reported. Hence, another purpose is to present detailed techniques employed for GPU implementation. The authors also would like to utilize this particular problem as an example problem to study the feasibility of using a multi-GPU platform to solve large-scale problems in medical physics. The column-generation approach generates VMAT apertures sequentially by solving a pricing problem (PP) and a master problem (MP) iteratively. In the authors' method, the sparse DDC matrix is first stored on a CPU in coordinate list format (COO). On the GPU side, this matrix is split into four submatrices according to beam angles, which are stored on four GPUs in compressed sparse row format. Computation of beamlet price, the first step in PP, is accomplished using multi-GPUs. A fast inter-GPU data transfer scheme is accomplished using peer-to-peer access. The remaining steps of PP and MP problems are implemented on CPU or a single GPU due to their modest problem scale and computational loads. Barzilai and Borwein algorithm with a subspace step scheme is adopted here to solve the MP problem. A head and neck (H&N) cancer case is then used to validate the authors' method. The authors also compare their multi-GPU implementation with three different single GPU implementation strategies, i.e., truncating DDC matrix (S1), repeatedly transferring DDC matrix between CPU and GPU (S2), and porting computations involving DDC matrix to CPU (S3), in terms of both plan quality and computational efficiency. Two more H&N patient cases and three prostate cases are used to demonstrate the advantages of the authors' method. The authors' multi-GPU implementation can finish the optimization process within ∼ 1 min for the H&N patient case. S1 leads to an inferior plan quality although its total time was 10 s shorter than the multi-GPU implementation due to the reduced matrix size. S2 and S3 yield the same plan quality as the multi-GPU implementation but take ∼4 and ∼6 min, respectively. High computational efficiency was consistently achieved for the other five patient cases tested, with VMAT plans of clinically acceptable quality obtained within 23-46 s. Conversely, to obtain clinically comparable or acceptable plans for all six of these VMAT cases that the authors have tested in this paper, the optimization time needed in a commercial TPS system on CPU was found to be in an order of several minutes. The results demonstrate that the multi-GPU implementation of the authors' column-generation-based VMAT optimization can handle the large-scale VMAT optimization problem efficiently without sacrificing plan quality. The authors' study may serve as an example to shed some light on other large-scale medical physics problems that require multi-GPU techniques.

Cross-Approximate Entropy parallel computation on GPUs for biomedical signal analysis. Application to MEG recordings.

PubMed

Martínez-Zarzuela, Mario; Gómez, Carlos; Díaz-Pernas, Francisco Javier; Fernández, Alberto; Hornero, Roberto

2013-10-01

Cross-Approximate Entropy (Cross-ApEn) is a useful measure to quantify the statistical dissimilarity of two time series. In spite of the advantage of Cross-ApEn over its one-dimensional counterpart (Approximate Entropy), only a few studies have applied it to biomedical signals, mainly due to its high computational cost. In this paper, we propose a fast GPU-based implementation of the Cross-ApEn that makes feasible its use over a large amount of multidimensional data. The scheme followed is fully scalable, thus maximizes the use of the GPU despite of the number of neural signals being processed. The approach consists in processing many trials or epochs simultaneously, with independence of its origin. In the case of MEG data, these trials can proceed from different input channels or subjects. The proposed implementation achieves an average speedup greater than 250× against a CPU parallel version running on a processor containing six cores. A dataset of 30 subjects containing 148 MEG channels (49 epochs of 1024 samples per channel) can be analyzed using our development in about 30min. The same processing takes 5 days on six cores and 15 days when running on a single core. The speedup is much larger if compared to a basic sequential Matlab(®) implementation, that would need 58 days per subject. To our knowledge, this is the first contribution of Cross-ApEn measure computation using GPUs. This study demonstrates that this hardware is, to the day, the best option for the signal processing of biomedical data with Cross-ApEn. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Parallelized multi–graphics processing unit framework for high-speed Gabor-domain optical coherence microscopy

PubMed Central

Tankam, Patrice; Santhanam, Anand P.; Lee, Kye-Sung; Won, Jungeun; Canavesi, Cristina; Rolland, Jannick P.

2014-01-01

Abstract. Gabor-domain optical coherence microscopy (GD-OCM) is a volumetric high-resolution technique capable of acquiring three-dimensional (3-D) skin images with histological resolution. Real-time image processing is needed to enable GD-OCM imaging in a clinical setting. We present a parallelized and scalable multi-graphics processing unit (GPU) computing framework for real-time GD-OCM image processing. A parallelized control mechanism was developed to individually assign computation tasks to each of the GPUs. For each GPU, the optimal number of amplitude-scans (A-scans) to be processed in parallel was selected to maximize GPU memory usage and core throughput. We investigated five computing architectures for computational speed-up in processing 1000×1000 A-scans. The proposed parallelized multi-GPU computing framework enables processing at a computational speed faster than the GD-OCM image acquisition, thereby facilitating high-speed GD-OCM imaging in a clinical setting. Using two parallelized GPUs, the image processing of a 1×1×0.6  mm3 skin sample was performed in about 13 s, and the performance was benchmarked at 6.5 s with four GPUs. This work thus demonstrates that 3-D GD-OCM data may be displayed in real-time to the examiner using parallelized GPU processing. PMID:24695868

Parallelized multi-graphics processing unit framework for high-speed Gabor-domain optical coherence microscopy.

PubMed

Tankam, Patrice; Santhanam, Anand P; Lee, Kye-Sung; Won, Jungeun; Canavesi, Cristina; Rolland, Jannick P

2014-07-01

Gabor-domain optical coherence microscopy (GD-OCM) is a volumetric high-resolution technique capable of acquiring three-dimensional (3-D) skin images with histological resolution. Real-time image processing is needed to enable GD-OCM imaging in a clinical setting. We present a parallelized and scalable multi-graphics processing unit (GPU) computing framework for real-time GD-OCM image processing. A parallelized control mechanism was developed to individually assign computation tasks to each of the GPUs. For each GPU, the optimal number of amplitude-scans (A-scans) to be processed in parallel was selected to maximize GPU memory usage and core throughput. We investigated five computing architectures for computational speed-up in processing 1000×1000 A-scans. The proposed parallelized multi-GPU computing framework enables processing at a computational speed faster than the GD-OCM image acquisition, thereby facilitating high-speed GD-OCM imaging in a clinical setting. Using two parallelized GPUs, the image processing of a 1×1×0.6  mm3 skin sample was performed in about 13 s, and the performance was benchmarked at 6.5 s with four GPUs. This work thus demonstrates that 3-D GD-OCM data may be displayed in real-time to the examiner using parallelized GPU processing.

A Fully GPU-Based Ray-Driven Backprojector via a Ray-Culling Scheme with Voxel-Level Parallelization for Cone-Beam CT Reconstruction.

PubMed

Park, Hyeong-Gyu; Shin, Yeong-Gil; Lee, Ho

2015-12-01

A ray-driven backprojector is based on ray-tracing, which computes the length of the intersection between the ray paths and each voxel to be reconstructed. To reduce the computational burden caused by these exhaustive intersection tests, we propose a fully graphics processing unit (GPU)-based ray-driven backprojector in conjunction with a ray-culling scheme that enables straightforward parallelization without compromising the high computing performance of a GPU. The purpose of the ray-culling scheme is to reduce the number of ray-voxel intersection tests by excluding rays irrelevant to a specific voxel computation. This rejection step is based on an axis-aligned bounding box (AABB) enclosing a region of voxel projection, where eight vertices of each voxel are projected onto the detector plane. The range of the rectangular-shaped AABB is determined by min/max operations on the coordinates in the region. Using the indices of pixels inside the AABB, the rays passing through the voxel can be identified and the voxel is weighted as the length of intersection between the voxel and the ray. This procedure makes it possible to reflect voxel-level parallelization, allowing an independent calculation at each voxel, which is feasible for a GPU implementation. To eliminate redundant calculations during ray-culling, a shared-memory optimization is applied to exploit the GPU memory hierarchy. In experimental results using real measurement data with phantoms, the proposed GPU-based ray-culling scheme reconstructed a volume of resolution 28032803176 in 77 seconds from 680 projections of resolution 10243768 , which is 26 times and 7.5 times faster than standard CPU-based and GPU-based ray-driven backprojectors, respectively. Qualitative and quantitative analyses showed that the ray-driven backprojector provides high-quality reconstruction images when compared with those generated by the Feldkamp-Davis-Kress algorithm using a pixel-driven backprojector, with an average of 2.5 times higher contrast-to-noise ratio, 1.04 times higher universal quality index, and 1.39 times higher normalized mutual information. © The Author(s) 2014.

Graphics Processing Unit-Accelerated Nonrigid Registration of MR Images to CT Images During CT-Guided Percutaneous Liver Tumor Ablations.

PubMed

Tokuda, Junichi; Plishker, William; Torabi, Meysam; Olubiyi, Olutayo I; Zaki, George; Tatli, Servet; Silverman, Stuart G; Shekher, Raj; Hata, Nobuhiko

2015-06-01

Accuracy and speed are essential for the intraprocedural nonrigid magnetic resonance (MR) to computed tomography (CT) image registration in the assessment of tumor margins during CT-guided liver tumor ablations. Although both accuracy and speed can be improved by limiting the registration to a region of interest (ROI), manual contouring of the ROI prolongs the registration process substantially. To achieve accurate and fast registration without the use of an ROI, we combined a nonrigid registration technique on the basis of volume subdivision with hardware acceleration using a graphics processing unit (GPU). We compared the registration accuracy and processing time of GPU-accelerated volume subdivision-based nonrigid registration technique to the conventional nonrigid B-spline registration technique. Fourteen image data sets of preprocedural MR and intraprocedural CT images for percutaneous CT-guided liver tumor ablations were obtained. Each set of images was registered using the GPU-accelerated volume subdivision technique and the B-spline technique. Manual contouring of ROI was used only for the B-spline technique. Registration accuracies (Dice similarity coefficient [DSC] and 95% Hausdorff distance [HD]) and total processing time including contouring of ROIs and computation were compared using a paired Student t test. Accuracies of the GPU-accelerated registrations and B-spline registrations, respectively, were 88.3 ± 3.7% versus 89.3 ± 4.9% (P = .41) for DSC and 13.1 ± 5.2 versus 11.4 ± 6.3 mm (P = .15) for HD. Total processing time of the GPU-accelerated registration and B-spline registration techniques was 88 ± 14 versus 557 ± 116 seconds (P < .000000002), respectively; there was no significant difference in computation time despite the difference in the complexity of the algorithms (P = .71). The GPU-accelerated volume subdivision technique was as accurate as the B-spline technique and required significantly less processing time. The GPU-accelerated volume subdivision technique may enable the implementation of nonrigid registration into routine clinical practice. Copyright © 2015 AUR. Published by Elsevier Inc. All rights reserved.

CPU-GPU mixed implementation of virtual node method for real-time interactive cutting of deformable objects using OpenCL.

PubMed

Jia, Shiyu; Zhang, Weizhong; Yu, Xiaokang; Pan, Zhenkuan

2015-09-01

Surgical simulators need to simulate interactive cutting of deformable objects in real time. The goal of this work was to design an interactive cutting algorithm that eliminates traditional cutting state classification and can work simultaneously with real-time GPU-accelerated deformation without affecting its numerical stability. A modified virtual node method for cutting is proposed. Deformable object is modeled as a real tetrahedral mesh embedded in a virtual tetrahedral mesh, and the former is used for graphics rendering and collision, while the latter is used for deformation. Cutting algorithm first subdivides real tetrahedrons to eliminate all face and edge intersections, then splits faces, edges and vertices along cutting tool trajectory to form cut surfaces. Next virtual tetrahedrons containing more than one connected real tetrahedral fragments are duplicated, and connectivity between virtual tetrahedrons is updated. Finally, embedding relationship between real and virtual tetrahedral meshes is updated. Co-rotational linear finite element method is used for deformation. Cutting and collision are processed by CPU, while deformation is carried out by GPU using OpenCL. Efficiency of GPU-accelerated deformation algorithm was tested using block models with varying numbers of tetrahedrons. Effectiveness of our cutting algorithm under multiple cuts and self-intersecting cuts was tested using a block model and a cylinder model. Cutting of a more complex liver model was performed, and detailed performance characteristics of cutting, deformation and collision were measured and analyzed. Our cutting algorithm can produce continuous cut surfaces when traditional minimal element creation algorithm fails. Our GPU-accelerated deformation algorithm remains stable with constant time step under multiple arbitrary cuts and works on both NVIDIA and AMD GPUs. GPU-CPU speed ratio can be as high as 10 for models with 80,000 tetrahedrons. Forty to sixty percent real-time performance and 100-200 Hz simulation rate are achieved for the liver model with 3,101 tetrahedrons. Major bottlenecks for simulation efficiency are cutting, collision processing and CPU-GPU data transfer. Future work needs to improve on these areas.

Modeling parameterized geometry in GPU-based Monte Carlo particle transport simulation for radiotherapy.

PubMed

Chi, Yujie; Tian, Zhen; Jia, Xun

2016-08-07

Monte Carlo (MC) particle transport simulation on a graphics-processing unit (GPU) platform has been extensively studied recently due to the efficiency advantage achieved via massive parallelization. Almost all of the existing GPU-based MC packages were developed for voxelized geometry. This limited application scope of these packages. The purpose of this paper is to develop a module to model parametric geometry and integrate it in GPU-based MC simulations. In our module, each continuous region was defined by its bounding surfaces that were parameterized by quadratic functions. Particle navigation functions in this geometry were developed. The module was incorporated to two previously developed GPU-based MC packages and was tested in two example problems: (1) low energy photon transport simulation in a brachytherapy case with a shielded cylinder applicator and (2) MeV coupled photon/electron transport simulation in a phantom containing several inserts of different shapes. In both cases, the calculated dose distributions agreed well with those calculated in the corresponding voxelized geometry. The averaged dose differences were 1.03% and 0.29%, respectively. We also used the developed package to perform simulations of a Varian VS 2000 brachytherapy source and generated a phase-space file. The computation time under the parameterized geometry depended on the memory location storing the geometry data. When the data was stored in GPU's shared memory, the highest computational speed was achieved. Incorporation of parameterized geometry yielded a computation time that was ~3 times of that in the corresponding voxelized geometry. We also developed a strategy to use an auxiliary index array to reduce frequency of geometry calculations and hence improve efficiency. With this strategy, the computational time ranged in 1.75-2.03 times of the voxelized geometry for coupled photon/electron transport depending on the voxel dimension of the auxiliary index array, and in 0.69-1.23 times for photon only transport.

An iterative reduced field-of-view reconstruction for periodically rotated overlapping parallel lines with enhanced reconstruction (PROPELLER) MRI.

PubMed

Lin, Jyh-Miin; Patterson, Andrew J; Chang, Hing-Chiu; Gillard, Jonathan H; Graves, Martin J

2015-10-01

To propose a new reduced field-of-view (rFOV) strategy for iterative reconstructions in a clinical environment. Iterative reconstructions can incorporate regularization terms to improve the image quality of periodically rotated overlapping parallel lines with enhanced reconstruction (PROPELLER) MRI. However, the large amount of calculations required for full FOV iterative reconstructions has posed a huge computational challenge for clinical usage. By subdividing the entire problem into smaller rFOVs, the iterative reconstruction can be accelerated on a desktop with a single graphic processing unit (GPU). This rFOV strategy divides the iterative reconstruction into blocks, based on the block-diagonal dominant structure. A near real-time reconstruction system was developed for the clinical MR unit, and parallel computing was implemented using the object-oriented model. In addition, the Toeplitz method was implemented on the GPU to reduce the time required for full interpolation. Using the data acquired from the PROPELLER MRI, the reconstructed images were then saved in the digital imaging and communications in medicine format. The proposed rFOV reconstruction reduced the gridding time by 97%, as the total iteration time was 3 s even with multiple processes running. A phantom study showed that the structure similarity index for rFOV reconstruction was statistically superior to conventional density compensation (p < 0.001). In vivo study validated the increased signal-to-noise ratio, which is over four times higher than with density compensation. Image sharpness index was improved using the regularized reconstruction implemented. The rFOV strategy permits near real-time iterative reconstruction to improve the image quality of PROPELLER images. Substantial improvements in image quality metrics were validated in the experiments. The concept of rFOV reconstruction may potentially be applied to other kinds of iterative reconstructions for shortened reconstruction duration.

Next-generation acceleration and code optimization for light transport in turbid media using GPUs

PubMed Central

Alerstam, Erik; Lo, William Chun Yip; Han, Tianyi David; Rose, Jonathan; Andersson-Engels, Stefan; Lilge, Lothar

2010-01-01

A highly optimized Monte Carlo (MC) code package for simulating light transport is developed on the latest graphics processing unit (GPU) built for general-purpose computing from NVIDIA - the Fermi GPU. In biomedical optics, the MC method is the gold standard approach for simulating light transport in biological tissue, both due to its accuracy and its flexibility in modelling realistic, heterogeneous tissue geometry in 3-D. However, the widespread use of MC simulations in inverse problems, such as treatment planning for PDT, is limited by their long computation time. Despite its parallel nature, optimizing MC code on the GPU has been shown to be a challenge, particularly when the sharing of simulation result matrices among many parallel threads demands the frequent use of atomic instructions to access the slow GPU global memory. This paper proposes an optimization scheme that utilizes the fast shared memory to resolve the performance bottleneck caused by atomic access, and discusses numerous other optimization techniques needed to harness the full potential of the GPU. Using these techniques, a widely accepted MC code package in biophotonics, called MCML, was successfully accelerated on a Fermi GPU by approximately 600x compared to a state-of-the-art Intel Core i7 CPU. A skin model consisting of 7 layers was used as the standard simulation geometry. To demonstrate the possibility of GPU cluster computing, the same GPU code was executed on four GPUs, showing a linear improvement in performance with an increasing number of GPUs. The GPU-based MCML code package, named GPU-MCML, is compatible with a wide range of graphics cards and is released as an open-source software in two versions: an optimized version tuned for high performance and a simplified version for beginners (http://code.google.com/p/gpumcml). PMID:21258498

Memory-Scalable GPU Spatial Hierarchy Construction.

PubMed

Qiming Hou; Xin Sun; Kun Zhou; Lauterbach, C; Manocha, D

2011-04-01

Recent GPU algorithms for constructing spatial hierarchies have achieved promising performance for moderately complex models by using the breadth-first search (BFS) construction order. While being able to exploit the massive parallelism on the GPU, the BFS order also consumes excessive GPU memory, which becomes a serious issue for interactive applications involving very complex models with more than a few million triangles. In this paper, we propose to use the partial breadth-first search (PBFS) construction order to control memory consumption while maximizing performance. We apply the PBFS order to two hierarchy construction algorithms. The first algorithm is for kd-trees that automatically balances between the level of parallelism and intermediate memory usage. With PBFS, peak memory consumption during construction can be efficiently controlled without costly CPU-GPU data transfer. We also develop memory allocation strategies to effectively limit memory fragmentation. The resulting algorithm scales well with GPU memory and constructs kd-trees of models with millions of triangles at interactive rates on GPUs with 1 GB memory. Compared with existing algorithms, our algorithm is an order of magnitude more scalable for a given GPU memory bound. The second algorithm is for out-of-core bounding volume hierarchy (BVH) construction for very large scenes based on the PBFS construction order. At each iteration, all constructed nodes are dumped to the CPU memory, and the GPU memory is freed for the next iteration's use. In this way, the algorithm is able to build trees that are too large to be stored in the GPU memory. Experiments show that our algorithm can construct BVHs for scenes with up to 20 M triangles, several times larger than previous GPU algorithms.

The Metropolis Monte Carlo method with CUDA enabled Graphic Processing Units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hall, Clifford; School of Physics, Astronomy, and Computational Sciences, George Mason University, 4400 University Dr., Fairfax, VA 22030; Ji, Weixiao

2014-02-01

We present a CPU–GPU system for runtime acceleration of large molecular simulations using GPU computation and memory swaps. The memory architecture of the GPU can be used both as container for simulation data stored on the graphics card and as floating-point code target, providing an effective means for the manipulation of atomistic or molecular data on the GPU. To fully take advantage of this mechanism, efficient GPU realizations of algorithms used to perform atomistic and molecular simulations are essential. Our system implements a versatile molecular engine, including inter-molecule interactions and orientational variables for performing the Metropolis Monte Carlo (MMC) algorithm,more » which is one type of Markov chain Monte Carlo. By combining memory objects with floating-point code fragments we have implemented an MMC parallel engine that entirely avoids the communication time of molecular data at runtime. Our runtime acceleration system is a forerunner of a new class of CPU–GPU algorithms exploiting memory concepts combined with threading for avoiding bus bandwidth and communication. The testbed molecular system used here is a condensed phase system of oligopyrrole chains. A benchmark shows a size scaling speedup of 60 for systems with 210,000 pyrrole monomers. Our implementation can easily be combined with MPI to connect in parallel several CPU–GPU duets. -- Highlights: •We parallelize the Metropolis Monte Carlo (MMC) algorithm on one CPU—GPU duet. •The Adaptive Tempering Monte Carlo employs MMC and profits from this CPU—GPU implementation. •Our benchmark shows a size scaling-up speedup of 62 for systems with 225,000 particles. •The testbed involves a polymeric system of oligopyrroles in the condensed phase. •The CPU—GPU parallelization includes dipole—dipole and Mie—Jones classic potentials.« less

Fast generation of computer-generated hologram by graphics processing unit

NASA Astrophysics Data System (ADS)

Matsuda, Sho; Fujii, Tomohiko; Yamaguchi, Takeshi; Yoshikawa, Hiroshi

2009-02-01

A cylindrical hologram is well known to be viewable in 360 deg. This hologram depends high pixel resolution.Therefore, Computer-Generated Cylindrical Hologram (CGCH) requires huge calculation amount.In our previous research, we used look-up table method for fast calculation with Intel Pentium4 2.8 GHz.It took 480 hours to calculate high resolution CGCH (504,000 x 63,000 pixels and the average number of object points are 27,000).To improve quality of CGCH reconstructed image, fringe pattern requires higher spatial frequency and resolution.Therefore, to increase the calculation speed, we have to change the calculation method. In this paper, to reduce the calculation time of CGCH (912,000 x 108,000 pixels), we employ Graphics Processing Unit (GPU).It took 4,406 hours to calculate high resolution CGCH on Xeon 3.4 GHz.Since GPU has many streaming processors and a parallel processing structure, GPU works as the high performance parallel processor.In addition, GPU gives max performance to 2 dimensional data and streaming data.Recently, GPU can be utilized for the general purpose (GPGPU).For example, NVIDIA's GeForce7 series became a programmable processor with Cg programming language.Next GeForce8 series have CUDA as software development kit made by NVIDIA.Theoretically, calculation ability of GPU is announced as 500 GFLOPS. From the experimental result, we have achieved that 47 times faster calculation compared with our previous work which used CPU.Therefore, CGCH can be generated in 95 hours.So, total time is 110 hours to calculate and print the CGCH.

GPU based cloud system for high-performance arrhythmia detection with parallel k-NN algorithm.

PubMed

Tae Joon Jun; Hyun Ji Park; Hyuk Yoo; Young-Hak Kim; Daeyoung Kim

2016-08-01

In this paper, we propose an GPU based Cloud system for high-performance arrhythmia detection. Pan-Tompkins algorithm is used for QRS detection and we optimized beat classification algorithm with K-Nearest Neighbor (K-NN). To support high performance beat classification on the system, we parallelized beat classification algorithm with CUDA to execute the algorithm on virtualized GPU devices on the Cloud system. MIT-BIH Arrhythmia database is used for validation of the algorithm. The system achieved about 93.5% of detection rate which is comparable to previous researches while our algorithm shows 2.5 times faster execution time compared to CPU only detection algorithm.

Interactive brain shift compensation using GPU based programming

NASA Astrophysics Data System (ADS)

van der Steen, Sander; Noordmans, Herke Jan; Verdaasdonk, Rudolf

2009-02-01

Processing large images files or real-time video streams requires intense computational power. Driven by the gaming industry, the processing power of graphic process units (GPUs) has increased significantly. With the pixel shader model 4.0 the GPU can be used for image processing 10x faster than the CPU. Dedicated software was developed to deform 3D MR and CT image sets for real-time brain shift correction during navigated neurosurgery using landmarks or cortical surface traces defined by the navigation pointer. Feedback was given using orthogonal slices and an interactively raytraced 3D brain image. GPU based programming enables real-time processing of high definition image datasets and various applications can be developed in medicine, optics and image sciences.

Tunable, mixed-resolution modeling using library-based Monte Carlo and graphics processing units

PubMed Central

Mamonov, Artem B.; Lettieri, Steven; Ding, Ying; Sarver, Jessica L.; Palli, Rohith; Cunningham, Timothy F.; Saxena, Sunil; Zuckerman, Daniel M.

2012-01-01

Building on our recently introduced library-based Monte Carlo (LBMC) approach, we describe a flexible protocol for mixed coarse-grained (CG)/all-atom (AA) simulation of proteins and ligands. In the present implementation of LBMC, protein side chain configurations are pre-calculated and stored in libraries, while bonded interactions along the backbone are treated explicitly. Because the AA side chain coordinates are maintained at minimal run-time cost, arbitrary sites and interaction terms can be turned on to create mixed-resolution models. For example, an AA region of interest such as a binding site can be coupled to a CG model for the rest of the protein. We have additionally developed a hybrid implementation of the generalized Born/surface area (GBSA) implicit solvent model suitable for mixed-resolution models, which in turn was ported to a graphics processing unit (GPU) for faster calculation. The new software was applied to study two systems: (i) the behavior of spin labels on the B1 domain of protein G (GB1) and (ii) docking of randomly initialized estradiol configurations to the ligand binding domain of the estrogen receptor (ERα). The performance of the GPU version of the code was also benchmarked in a number of additional systems. PMID:23162384

GPU-accelerated computation of electron transfer.

PubMed

Höfinger, Siegfried; Acocella, Angela; Pop, Sergiu C; Narumi, Tetsu; Yasuoka, Kenji; Beu, Titus; Zerbetto, Francesco

2012-11-05

Electron transfer is a fundamental process that can be studied with the help of computer simulation. The underlying quantum mechanical description renders the problem a computationally intensive application. In this study, we probe the graphics processing unit (GPU) for suitability to this type of problem. Time-critical components are identified via profiling of an existing implementation and several different variants are tested involving the GPU at increasing levels of abstraction. A publicly available library supporting basic linear algebra operations on the GPU turns out to accelerate the computation approximately 50-fold with minor dependence on actual problem size. The performance gain does not compromise numerical accuracy and is of significant value for practical purposes. Copyright © 2012 Wiley Periodicals, Inc.

Newmark local time stepping on high-performance computing architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rietmann, Max, E-mail: max.rietmann@erdw.ethz.ch; Institute of Geophysics, ETH Zurich; Grote, Marcus, E-mail: marcus.grote@unibas.ch

In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strongmore » element-size contrasts (more than 100x). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.« less

Development of High-speed Visualization System of Hypocenter Data Using CUDA-based GPU computing

NASA Astrophysics Data System (ADS)

Kumagai, T.; Okubo, K.; Uchida, N.; Matsuzawa, T.; Kawada, N.; Takeuchi, N.

2014-12-01

After the Great East Japan Earthquake on March 11, 2011, intelligent visualization of seismic information is becoming important to understand the earthquake phenomena. On the other hand, to date, the quantity of seismic data becomes enormous as a progress of high accuracy observation network; we need to treat many parameters (e.g., positional information, origin time, magnitude, etc.) to efficiently display the seismic information. Therefore, high-speed processing of data and image information is necessary to handle enormous amounts of seismic data. Recently, GPU (Graphic Processing Unit) is used as an acceleration tool for data processing and calculation in various study fields. This movement is called GPGPU (General Purpose computing on GPUs). In the last few years the performance of GPU keeps on improving rapidly. GPU computing gives us the high-performance computing environment at a lower cost than before. Moreover, use of GPU has an advantage of visualization of processed data, because GPU is originally architecture for graphics processing. In the GPU computing, the processed data is always stored in the video memory. Therefore, we can directly write drawing information to the VRAM on the video card by combining CUDA and the graphics API. In this study, we employ CUDA and OpenGL and/or DirectX to realize full-GPU implementation. This method makes it possible to write drawing information to the VRAM on the video card without PCIe bus data transfer: It enables the high-speed processing of seismic data. The present study examines the GPU computing-based high-speed visualization and the feasibility for high-speed visualization system of hypocenter data.

Suppressing correlations in massively parallel simulations of lattice models

NASA Astrophysics Data System (ADS)

Kelling, Jeffrey; Ódor, Géza; Gemming, Sibylle

2017-11-01

For lattice Monte Carlo simulations parallelization is crucial to make studies of large systems and long simulation time feasible, while sequential simulations remain the gold-standard for correlation-free dynamics. Here, various domain decomposition schemes are compared, concluding with one which delivers virtually correlation-free simulations on GPUs. Extensive simulations of the octahedron model for 2 + 1 dimensional Kardar-Parisi-Zhang surface growth, which is very sensitive to correlation in the site-selection dynamics, were performed to show self-consistency of the parallel runs and agreement with the sequential algorithm. We present a GPU implementation providing a speedup of about 30 × over a parallel CPU implementation on a single socket and at least 180 × with respect to the sequential reference.

GPU-based stochastic-gradient optimization for non-rigid medical image registration in time-critical applications

NASA Astrophysics Data System (ADS)

Bhosale, Parag; Staring, Marius; Al-Ars, Zaid; Berendsen, Floris F.

2018-03-01

Currently, non-rigid image registration algorithms are too computationally intensive to use in time-critical applications. Existing implementations that focus on speed typically address this by either parallelization on GPU-hardware, or by introducing methodically novel techniques into CPU-oriented algorithms. Stochastic gradient descent (SGD) optimization and variations thereof have proven to drastically reduce the computational burden for CPU-based image registration, but have not been successfully applied in GPU hardware due to its stochastic nature. This paper proposes 1) NiftyRegSGD, a SGD optimization for the GPU-based image registration tool NiftyReg, 2) random chunk sampler, a new random sampling strategy that better utilizes the memory bandwidth of GPU hardware. Experiments have been performed on 3D lung CT data of 19 patients, which compared NiftyRegSGD (with and without random chunk sampler) with CPU-based elastix Fast Adaptive SGD (FASGD) and NiftyReg. The registration runtime was 21.5s, 4.4s and 2.8s for elastix-FASGD, NiftyRegSGD without, and NiftyRegSGD with random chunk sampling, respectively, while similar accuracy was obtained. Our method is publicly available at https://github.com/SuperElastix/NiftyRegSGD.

PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kylasa, S.B., E-mail: skylasa@purdue.edu; Aktulga, H.M., E-mail: hmaktulga@lbl.gov; Grama, A.Y., E-mail: ayg@cs.purdue.edu

2014-09-01

We present an efficient and highly accurate GP-GPU implementation of our community code, PuReMD, for reactive molecular dynamics simulations using the ReaxFF force field. PuReMD and its incorporation into LAMMPS (Reax/C) is used by a large number of research groups worldwide for simulating diverse systems ranging from biomembranes to explosives (RDX) at atomistic level of detail. The sub-femtosecond time-steps associated with ReaxFF strongly motivate significant improvements to per-timestep simulation time through effective use of GPUs. This paper presents, in detail, the design and implementation of PuReMD-GPU, which enables ReaxFF simulations on GPUs, as well as various performance optimization techniques wemore » developed to obtain high performance on state-of-the-art hardware. Comprehensive experiments on model systems (bulk water and amorphous silica) are presented to quantify the performance improvements achieved by PuReMD-GPU and to verify its accuracy. In particular, our experiments show up to 16× improvement in runtime compared to our highly optimized CPU-only single-core ReaxFF implementation. PuReMD-GPU is a unique production code, and is currently available on request from the authors.« less

Accelerating moderately stiff chemical kinetics in reactive-flow simulations using GPUs

NASA Astrophysics Data System (ADS)

Niemeyer, Kyle E.; Sung, Chih-Jen

2014-01-01

The chemical kinetics ODEs arising from operator-split reactive-flow simulations were solved on GPUs using explicit integration algorithms. Nonstiff chemical kinetics of a hydrogen oxidation mechanism (9 species and 38 irreversible reactions) were computed using the explicit fifth-order Runge-Kutta-Cash-Karp method, and the GPU-accelerated version performed faster than single- and six-core CPU versions by factors of 126 and 25, respectively, for 524,288 ODEs. Moderately stiff kinetics, represented with mechanisms for hydrogen/carbon-monoxide (13 species and 54 irreversible reactions) and methane (53 species and 634 irreversible reactions) oxidation, were computed using the stabilized explicit second-order Runge-Kutta-Chebyshev (RKC) algorithm. The GPU-based RKC implementation demonstrated an increase in performance of nearly 59 and 10 times, for problem sizes consisting of 262,144 ODEs and larger, than the single- and six-core CPU-based RKC algorithms using the hydrogen/carbon-monoxide mechanism. With the methane mechanism, RKC-GPU performed more than 65 and 11 times faster, for problem sizes consisting of 131,072 ODEs and larger, than the single- and six-core RKC-CPU versions, and up to 57 times faster than the six-core CPU-based implicit VODE algorithm on 65,536 ODEs. In the presence of more severe stiffness, such as ethylene oxidation (111 species and 1566 irreversible reactions), RKC-GPU performed more than 17 times faster than RKC-CPU on six cores for 32,768 ODEs and larger, and at best 4.5 times faster than VODE on six CPU cores for 65,536 ODEs. With a larger time step size, RKC-GPU performed at best 2.5 times slower than six-core VODE for 8192 ODEs and larger. Therefore, the need for developing new strategies for integrating stiff chemistry on GPUs was discussed.

Performance evaluation of GPU parallelization, space-time adaptive algorithms, and their combination for simulating cardiac electrophysiology.

PubMed

Sachetto Oliveira, Rafael; Martins Rocha, Bernardo; Burgarelli, Denise; Meira, Wagner; Constantinides, Christakis; Weber Dos Santos, Rodrigo

2018-02-01

The use of computer models as a tool for the study and understanding of the complex phenomena of cardiac electrophysiology has attained increased importance nowadays. At the same time, the increased complexity of the biophysical processes translates into complex computational and mathematical models. To speed up cardiac simulations and to allow more precise and realistic uses, 2 different techniques have been traditionally exploited: parallel computing and sophisticated numerical methods. In this work, we combine a modern parallel computing technique based on multicore and graphics processing units (GPUs) and a sophisticated numerical method based on a new space-time adaptive algorithm. We evaluate each technique alone and in different combinations: multicore and GPU, multicore and GPU and space adaptivity, multicore and GPU and space adaptivity and time adaptivity. All the techniques and combinations were evaluated under different scenarios: 3D simulations on slabs, 3D simulations on a ventricular mouse mesh, ie, complex geometry, sinus-rhythm, and arrhythmic conditions. Our results suggest that multicore and GPU accelerate the simulations by an approximate factor of 33×, whereas the speedups attained by the space-time adaptive algorithms were approximately 48. Nevertheless, by combining all the techniques, we obtained speedups that ranged between 165 and 498. The tested methods were able to reduce the execution time of a simulation by more than 498× for a complex cellular model in a slab geometry and by 165× in a realistic heart geometry simulating spiral waves. The proposed methods will allow faster and more realistic simulations in a feasible time with no significant loss of accuracy. Copyright © 2017 John Wiley & Sons, Ltd.

Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics.

PubMed

Zheng, Mo; Li, Xiaoxia; Guo, Li

2013-04-01

Reactive force field (ReaxFF), a recent and novel bond order potential, allows for reactive molecular dynamics (ReaxFF MD) simulations for modeling larger and more complex molecular systems involving chemical reactions when compared with computation intensive quantum mechanical methods. However, ReaxFF MD can be approximately 10-50 times slower than classical MD due to its explicit modeling of bond forming and breaking, the dynamic charge equilibration at each time-step, and its one order smaller time-step than the classical MD, all of which pose significant computational challenges in simulation capability to reach spatio-temporal scales of nanometers and nanoseconds. The very recent advances of graphics processing unit (GPU) provide not only highly favorable performance for GPU enabled MD programs compared with CPU implementations but also an opportunity to manage with the computing power and memory demanding nature imposed on computer hardware by ReaxFF MD. In this paper, we present the algorithms of GMD-Reax, the first GPU enabled ReaxFF MD program with significantly improved performance surpassing CPU implementations on desktop workstations. The performance of GMD-Reax has been benchmarked on a PC equipped with a NVIDIA C2050 GPU for coal pyrolysis simulation systems with atoms ranging from 1378 to 27,283. GMD-Reax achieved speedups as high as 12 times faster than Duin et al.'s FORTRAN codes in Lammps on 8 CPU cores and 6 times faster than the Lammps' C codes based on PuReMD in terms of the simulation time per time-step averaged over 100 steps. GMD-Reax could be used as a new and efficient computational tool for exploiting very complex molecular reactions via ReaxFF MD simulation on desktop workstations. Copyright © 2013 Elsevier Inc. All rights reserved.

A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors.

PubMed

Glowacki, David R; O'Connor, Michael; Calabró, Gaetano; Price, James; Tew, Philip; Mitchell, Thomas; Hyde, Joseph; Tew, David P; Coughtrie, David J; McIntosh-Smith, Simon

2014-01-01

With advances in computational power, the rapidly growing role of computational/simulation methodologies in the physical sciences, and the development of new human-computer interaction technologies, the field of interactive molecular dynamics seems destined to expand. In this paper, we describe and benchmark the software algorithms and hardware setup for carrying out interactive molecular dynamics utilizing an array of consumer depth sensors. The system works by interpreting the human form as an energy landscape, and superimposing this landscape on a molecular dynamics simulation to chaperone the motion of the simulated atoms, affecting both graphics and sonified simulation data. GPU acceleration has been key to achieving our target of 60 frames per second (FPS), giving an extremely fluid interactive experience. GPU acceleration has also allowed us to scale the system for use in immersive 360° spaces with an array of up to ten depth sensors, allowing several users to simultaneously chaperone the dynamics. The flexibility of our platform for carrying out molecular dynamics simulations has been considerably enhanced by wrappers that facilitate fast communication with a portable selection of GPU-accelerated molecular force evaluation routines. In this paper, we describe a 360° atmospheric molecular dynamics simulation we have run in a chemistry/physics education context. We also describe initial tests in which users have been able to chaperone the dynamics of 10-alanine peptide embedded in an explicit water solvent. Using this system, both expert and novice users have been able to accelerate peptide rare event dynamics by 3-4 orders of magnitude.

Tempest: Accelerated MS/MS Database Search Software for Heterogeneous Computing Platforms.

PubMed

Adamo, Mark E; Gerber, Scott A

2016-09-07

MS/MS database search algorithms derive a set of candidate peptide sequences from in silico digest of a protein sequence database, and compute theoretical fragmentation patterns to match these candidates against observed MS/MS spectra. The original Tempest publication described these operations mapped to a CPU-GPU model, in which the CPU (central processing unit) generates peptide candidates that are asynchronously sent to a discrete GPU (graphics processing unit) to be scored against experimental spectra in parallel. The current version of Tempest expands this model, incorporating OpenCL to offer seamless parallelization across multicore CPUs, GPUs, integrated graphics chips, and general-purpose coprocessors. Three protocols describe how to configure and run a Tempest search, including discussion of how to leverage Tempest's unique feature set to produce optimal results. © 2016 by John Wiley & Sons, Inc. Copyright © 2016 John Wiley & Sons, Inc.

Advantages of GPU technology in DFT calculations of intercalated graphene

NASA Astrophysics Data System (ADS)

Pešić, J.; Gajić, R.

2014-09-01

Over the past few years, the expansion of general-purpose graphic-processing unit (GPGPU) technology has had a great impact on computational science. GPGPU is the utilization of a graphics-processing unit (GPU) to perform calculations in applications usually handled by the central processing unit (CPU). Use of GPGPUs as a way to increase computational power in the material sciences has significantly decreased computational costs in already highly demanding calculations. A level of the acceleration and parallelization depends on the problem itself. Some problems can benefit from GPU acceleration and parallelization, such as the finite-difference time-domain algorithm (FTDT) and density-functional theory (DFT), while others cannot take advantage of these modern technologies. A number of GPU-supported applications had emerged in the past several years (www.nvidia.com/object/gpu-applications.html). Quantum Espresso (QE) is reported as an integrated suite of open source computer codes for electronic-structure calculations and materials modeling at the nano-scale. It is based on DFT, the use of a plane-waves basis and a pseudopotential approach. Since the QE 5.0 version, it has been implemented as a plug-in component for standard QE packages that allows exploiting the capabilities of Nvidia GPU graphic cards (www.qe-forge.org/gf/proj). In this study, we have examined the impact of the usage of GPU acceleration and parallelization on the numerical performance of DFT calculations. Graphene has been attracting attention worldwide and has already shown some remarkable properties. We have studied an intercalated graphene, using the QE package PHonon, which employs GPU. The term ‘intercalation’ refers to a process whereby foreign adatoms are inserted onto a graphene lattice. In addition, by intercalating different atoms between graphene layers, it is possible to tune their physical properties. Our experiments have shown there are benefits from using GPUs, and we reached an acceleration of several times compared to standard CPU calculations.

A Framework for Batched and GPU-Resident Factorization Algorithms Applied to Block Householder Transformations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Tingzing Tim; Tomov, Stanimire Z; Luszczek, Piotr R

As modern hardware keeps evolving, an increasingly effective approach to developing energy efficient and high-performance solvers is to design them to work on many small size and independent problems. Many applications already need this functionality, especially for GPUs, which are currently known to be about four to five times more energy efficient than multicore CPUs. We describe the development of one-sided factorizations that work for a set of small dense matrices in parallel, and we illustrate our techniques on the QR factorization based on Householder transformations. We refer to this mode of operation as a batched factorization. Our approach ismore » based on representing the algorithms as a sequence of batched BLAS routines for GPU-only execution. This is in contrast to the hybrid CPU-GPU algorithms that rely heavily on using the multicore CPU for specific parts of the workload. But for a system to benefit fully from the GPU's significantly higher energy efficiency, avoiding the use of the multicore CPU must be a primary design goal, so the system can rely more heavily on the more efficient GPU. Additionally, this will result in the removal of the costly CPU-to-GPU communication. Furthermore, we do not use a single symmetric multiprocessor(on the GPU) to factorize a single problem at a time. We illustrate how our performance analysis, and the use of profiling and tracing tools, guided the development and optimization of our batched factorization to achieve up to a 2-fold speedup and a 3-fold energy efficiency improvement compared to our highly optimized batched CPU implementations based on the MKL library(when using two sockets of Intel Sandy Bridge CPUs). Compared to a batched QR factorization featured in the CUBLAS library for GPUs, we achieved up to 5x speedup on the K40 GPU.« less

Fast distributed large-pixel-count hologram computation using a GPU cluster.

PubMed

Pan, Yuechao; Xu, Xuewu; Liang, Xinan

2013-09-10

Large-pixel-count holograms are one essential part for big size holographic three-dimensional (3D) display, but the generation of such holograms is computationally demanding. In order to address this issue, we have built a graphics processing unit (GPU) cluster with 32.5 Tflop/s computing power and implemented distributed hologram computation on it with speed improvement techniques, such as shared memory on GPU, GPU level adaptive load balancing, and node level load distribution. Using these speed improvement techniques on the GPU cluster, we have achieved 71.4 times computation speed increase for 186M-pixel holograms. Furthermore, we have used the approaches of diffraction limits and subdivision of holograms to overcome the GPU memory limit in computing large-pixel-count holograms. 745M-pixel and 1.80G-pixel holograms were computed in 343 and 3326 s, respectively, for more than 2 million object points with RGB colors. Color 3D objects with 1.02M points were successfully reconstructed from 186M-pixel hologram computed in 8.82 s with all the above three speed improvement techniques. It is shown that distributed hologram computation using a GPU cluster is a promising approach to increase the computation speed of large-pixel-count holograms for large size holographic display.

Parallelized computation for computer simulation of electrocardiograms using personal computers with multi-core CPU and general-purpose GPU.

PubMed

Shen, Wenfeng; Wei, Daming; Xu, Weimin; Zhu, Xin; Yuan, Shizhong

2010-10-01

Biological computations like electrocardiological modelling and simulation usually require high-performance computing environments. This paper introduces an implementation of parallel computation for computer simulation of electrocardiograms (ECGs) in a personal computer environment with an Intel CPU of Core (TM) 2 Quad Q6600 and a GPU of Geforce 8800GT, with software support by OpenMP and CUDA. It was tested in three parallelization device setups: (a) a four-core CPU without a general-purpose GPU, (b) a general-purpose GPU plus 1 core of CPU, and (c) a four-core CPU plus a general-purpose GPU. To effectively take advantage of a multi-core CPU and a general-purpose GPU, an algorithm based on load-prediction dynamic scheduling was developed and applied to setting (c). In the simulation with 1600 time steps, the speedup of the parallel computation as compared to the serial computation was 3.9 in setting (a), 16.8 in setting (b), and 20.0 in setting (c). This study demonstrates that a current PC with a multi-core CPU and a general-purpose GPU provides a good environment for parallel computations in biological modelling and simulation studies. Copyright 2010 Elsevier Ireland Ltd. All rights reserved.

GPU-accelerated low-latency real-time searches for gravitational waves from compact binary coalescence

NASA Astrophysics Data System (ADS)

Liu, Yuan; Du, Zhihui; Chung, Shin Kee; Hooper, Shaun; Blair, David; Wen, Linqing

2012-12-01

We present a graphics processing unit (GPU)-accelerated time-domain low-latency algorithm to search for gravitational waves (GWs) from coalescing binaries of compact objects based on the summed parallel infinite impulse response (SPIIR) filtering technique. The aim is to facilitate fast detection of GWs with a minimum delay to allow prompt electromagnetic follow-up observations. To maximize the GPU acceleration, we apply an efficient batched parallel computing model that significantly reduces the number of synchronizations in SPIIR and optimizes the usage of the memory and hardware resource. Our code is tested on the CUDA ‘Fermi’ architecture in a GTX 480 graphics card and its performance is compared with a single core of Intel Core i7 920 (2.67 GHz). A 58-fold speedup is achieved while giving results in close agreement with the CPU implementation. Our result indicates that it is possible to conduct a full search for GWs from compact binary coalescence in real time with only one desktop computer equipped with a Fermi GPU card for the initial LIGO detectors which in the past required more than 100 CPUs.

Practical Implementation of Prestack Kirchhoff Time Migration on a General Purpose Graphics Processing Unit

NASA Astrophysics Data System (ADS)

Liu, Guofeng; Li, Chun

2016-08-01

In this study, we present a practical implementation of prestack Kirchhoff time migration (PSTM) on a general purpose graphic processing unit. First, we consider the three main optimizations of the PSTM GPU code, i.e., designing a configuration based on a reasonable execution, using the texture memory for velocity interpolation, and the application of an intrinsic function in device code. This approach can achieve a speedup of nearly 45 times on a NVIDIA GTX 680 GPU compared with CPU code when a larger imaging space is used, where the PSTM output is a common reflection point that is gathered as I[ nx][ ny][ nh][ nt] in matrix format. However, this method requires more memory space so the limited imaging space cannot fully exploit the GPU sources. To overcome this problem, we designed a PSTM scheme with multi-GPUs for imaging different seismic data on different GPUs using an offset value. This process can achieve the peak speedup of GPU PSTM code and it greatly increases the efficiency of the calculations, but without changing the imaging result.

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

SU-E-T-395: Multi-GPU-Based VMAT Treatment Plan Optimization Using a Column-Generation Approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tian, Z; Shi, F; Jia, X

Purpose: GPU has been employed to speed up VMAT optimizations from hours to minutes. However, its limited memory capacity makes it difficult to handle cases with a huge dose-deposition-coefficient (DDC) matrix, e.g. those with a large target size, multiple arcs, small beam angle intervals and/or small beamlet size. We propose multi-GPU-based VMAT optimization to solve this memory issue to make GPU-based VMAT more practical for clinical use. Methods: Our column-generation-based method generates apertures sequentially by iteratively searching for an optimal feasible aperture (referred as pricing problem, PP) and optimizing aperture intensities (referred as master problem, MP). The PP requires accessmore » to the large DDC matrix, which is implemented on a multi-GPU system. Each GPU stores a DDC sub-matrix corresponding to one fraction of beam angles and is only responsible for calculation related to those angles. Broadcast and parallel reduction schemes are adopted for inter-GPU data transfer. MP is a relatively small-scale problem and is implemented on one GPU. One headand- neck cancer case was used for test. Three different strategies for VMAT optimization on single GPU were also implemented for comparison: (S1) truncating DDC matrix to ignore its small value entries for optimization; (S2) transferring DDC matrix part by part to GPU during optimizations whenever needed; (S3) moving DDC matrix related calculation onto CPU. Results: Our multi-GPU-based implementation reaches a good plan within 1 minute. Although S1 was 10 seconds faster than our method, the obtained plan quality is worse. Both S2 and S3 handle the full DDC matrix and hence yield the same plan as in our method. However, the computation time is longer, namely 4 minutes and 30 minutes, respectively. Conclusion: Our multi-GPU-based VMAT optimization can effectively solve the limited memory issue with good plan quality and high efficiency, making GPUbased ultra-fast VMAT planning practical for real clinical use.« less

A parallelization scheme of the periodic signals tracking algorithm for isochronous mass spectrometry on GPUs

NASA Astrophysics Data System (ADS)

Chen, R. J.; Wang, M.; Yan, X. L.; Yang, Q.; Lam, Y. H.; Yang, L.; Zhang, Y. H.

2017-12-01

The periodic signals tracking algorithm has been used to determine the revolution times of ions stored in storage rings in isochronous mass spectrometry (IMS) experiments. It has been a challenge to perform real-time data analysis by using the periodic signals tracking algorithm in the IMS experiments. In this paper, a parallelization scheme of the periodic signals tracking algorithm is introduced and a new program is developed. The computing time of data analysis can be reduced by a factor of ∼71 and of ∼346 by using our new program on Tesla C1060 GPU and Tesla K20c GPU, compared to using old program on Xeon E5540 CPU. We succeed in performing real-time data analysis for the IMS experiments by using the new program on Tesla K20c GPU.

SU-D-206-01: Employing a Novel Consensus Optimization Strategy to Achieve Iterative Cone Beam CT Reconstruction On a Multi-GPU Platform

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, B; Southern Medical University, Guangzhou, Guangdong; Tian, Z

Purpose: While compressed sensing-based cone-beam CT (CBCT) iterative reconstruction techniques have demonstrated tremendous capability of reconstructing high-quality images from undersampled noisy data, its long computation time still hinders wide application in routine clinic. The purpose of this study is to develop a reconstruction framework that employs modern consensus optimization techniques to achieve CBCT reconstruction on a multi-GPU platform for improved computational efficiency. Methods: Total projection data were evenly distributed to multiple GPUs. Each GPU performed reconstruction using its own projection data with a conventional total variation regularization approach to ensure image quality. In addition, the solutions from GPUs were subjectmore » to a consistency constraint that they should be identical. We solved the optimization problem with all the constraints considered rigorously using an alternating direction method of multipliers (ADMM) algorithm. The reconstruction framework was implemented using OpenCL on a platform with two Nvidia GTX590 GPU cards, each with two GPUs. We studied the performance of our method and demonstrated its advantages through a simulation case with a NCAT phantom and an experimental case with a Catphan phantom. Result: Compared with the CBCT images reconstructed using conventional FDK method with full projection datasets, our proposed method achieved comparable image quality with about one third projection numbers. The computation time on the multi-GPU platform was ∼55 s and ∼ 35 s in the two cases respectively, achieving a speedup factor of ∼ 3.0 compared with single GPU reconstruction. Conclusion: We have developed a consensus ADMM-based CBCT reconstruction method which enabled performing reconstruction on a multi-GPU platform. The achieved efficiency made this method clinically attractive.« less

Convolution of large 3D images on GPU and its decomposition

NASA Astrophysics Data System (ADS)

Karas, Pavel; Svoboda, David

2011-12-01

In this article, we propose a method for computing convolution of large 3D images. The convolution is performed in a frequency domain using a convolution theorem. The algorithm is accelerated on a graphic card by means of the CUDA parallel computing model. Convolution is decomposed in a frequency domain using the decimation in frequency algorithm. We pay attention to keeping our approach efficient in terms of both time and memory consumption and also in terms of memory transfers between CPU and GPU which have a significant inuence on overall computational time. We also study the implementation on multiple GPUs and compare the results between the multi-GPU and multi-CPU implementations.

Primal-dual convex optimization in large deformation diffeomorphic metric mapping: LDDMM meets robust regularizers

NASA Astrophysics Data System (ADS)

Hernandez, Monica

2017-12-01

This paper proposes a method for primal-dual convex optimization in variational large deformation diffeomorphic metric mapping problems formulated with robust regularizers and robust image similarity metrics. The method is based on Chambolle and Pock primal-dual algorithm for solving general convex optimization problems. Diagonal preconditioning is used to ensure the convergence of the algorithm to the global minimum. We consider three robust regularizers liable to provide acceptable results in diffeomorphic registration: Huber, V-Huber and total generalized variation. The Huber norm is used in the image similarity term. The primal-dual equations are derived for the stationary and the non-stationary parameterizations of diffeomorphisms. The resulting algorithms have been implemented for running in the GPU using Cuda. For the most memory consuming methods, we have developed a multi-GPU implementation. The GPU implementations allowed us to perform an exhaustive evaluation study in NIREP and LPBA40 databases. The experiments showed that, for all the considered regularizers, the proposed method converges to diffeomorphic solutions while better preserving discontinuities at the boundaries of the objects compared to baseline diffeomorphic registration methods. In most cases, the evaluation showed a competitive performance for the robust regularizers, close to the performance of the baseline diffeomorphic registration methods.

Accelerating large-scale protein structure alignments with graphics processing units

PubMed Central

2012-01-01

Background Large-scale protein structure alignment, an indispensable tool to structural bioinformatics, poses a tremendous challenge on computational resources. To ensure structure alignment accuracy and efficiency, efforts have been made to parallelize traditional alignment algorithms in grid environments. However, these solutions are costly and of limited accessibility. Others trade alignment quality for speedup by using high-level characteristics of structure fragments for structure comparisons. Findings We present ppsAlign, a parallel protein structure Alignment framework designed and optimized to exploit the parallelism of Graphics Processing Units (GPUs). As a general-purpose GPU platform, ppsAlign could take many concurrent methods, such as TM-align and Fr-TM-align, into the parallelized algorithm design. We evaluated ppsAlign on an NVIDIA Tesla C2050 GPU card, and compared it with existing software solutions running on an AMD dual-core CPU. We observed a 36-fold speedup over TM-align, a 65-fold speedup over Fr-TM-align, and a 40-fold speedup over MAMMOTH. Conclusions ppsAlign is a high-performance protein structure alignment tool designed to tackle the computational complexity issues from protein structural data. The solution presented in this paper allows large-scale structure comparisons to be performed using massive parallel computing power of GPU. PMID:22357132

MSAProbs-MPI: parallel multiple sequence aligner for distributed-memory systems.

PubMed

González-Domínguez, Jorge; Liu, Yongchao; Touriño, Juan; Schmidt, Bertil

2016-12-15

MSAProbs is a state-of-the-art protein multiple sequence alignment tool based on hidden Markov models. It can achieve high alignment accuracy at the expense of relatively long runtimes for large-scale input datasets. In this work we present MSAProbs-MPI, a distributed-memory parallel version of the multithreaded MSAProbs tool that is able to reduce runtimes by exploiting the compute capabilities of common multicore CPU clusters. Our performance evaluation on a cluster with 32 nodes (each containing two Intel Haswell processors) shows reductions in execution time of over one order of magnitude for typical input datasets. Furthermore, MSAProbs-MPI using eight nodes is faster than the GPU-accelerated QuickProbs running on a Tesla K20. Another strong point is that MSAProbs-MPI can deal with large datasets for which MSAProbs and QuickProbs might fail due to time and memory constraints, respectively. Source code in C ++ and MPI running on Linux systems as well as a reference manual are available at http://msaprobs.sourceforge.net CONTACT: jgonzalezd@udc.esSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

GPUmotif: An Ultra-Fast and Energy-Efficient Motif Analysis Program Using Graphics Processing Units

PubMed Central

Zandevakili, Pooya; Hu, Ming; Qin, Zhaohui

2012-01-01

Computational detection of TF binding patterns has become an indispensable tool in functional genomics research. With the rapid advance of new sequencing technologies, large amounts of protein-DNA interaction data have been produced. Analyzing this data can provide substantial insight into the mechanisms of transcriptional regulation. However, the massive amount of sequence data presents daunting challenges. In our previous work, we have developed a novel algorithm called Hybrid Motif Sampler (HMS) that enables more scalable and accurate motif analysis. Despite much improvement, HMS is still time-consuming due to the requirement to calculate matching probabilities position-by-position. Using the NVIDIA CUDA toolkit, we developed a graphics processing unit (GPU)-accelerated motif analysis program named GPUmotif. We proposed a “fragmentation" technique to hide data transfer time between memories. Performance comparison studies showed that commonly-used model-based motif scan and de novo motif finding procedures such as HMS can be dramatically accelerated when running GPUmotif on NVIDIA graphics cards. As a result, energy consumption can also be greatly reduced when running motif analysis using GPUmotif. The GPUmotif program is freely available at http://sourceforge.net/projects/gpumotif/ PMID:22662128

GPUmotif: an ultra-fast and energy-efficient motif analysis program using graphics processing units.

PubMed

Zandevakili, Pooya; Hu, Ming; Qin, Zhaohui

2012-01-01

Computational detection of TF binding patterns has become an indispensable tool in functional genomics research. With the rapid advance of new sequencing technologies, large amounts of protein-DNA interaction data have been produced. Analyzing this data can provide substantial insight into the mechanisms of transcriptional regulation. However, the massive amount of sequence data presents daunting challenges. In our previous work, we have developed a novel algorithm called Hybrid Motif Sampler (HMS) that enables more scalable and accurate motif analysis. Despite much improvement, HMS is still time-consuming due to the requirement to calculate matching probabilities position-by-position. Using the NVIDIA CUDA toolkit, we developed a graphics processing unit (GPU)-accelerated motif analysis program named GPUmotif. We proposed a "fragmentation" technique to hide data transfer time between memories. Performance comparison studies showed that commonly-used model-based motif scan and de novo motif finding procedures such as HMS can be dramatically accelerated when running GPUmotif on NVIDIA graphics cards. As a result, energy consumption can also be greatly reduced when running motif analysis using GPUmotif. The GPUmotif program is freely available at http://sourceforge.net/projects/gpumotif/

Hadoop-MCC: Efficient Multiple Compound Comparison Algorithm Using Hadoop.

PubMed

Hua, Guan-Jie; Hung, Che-Lun; Tang, Chuan Yi

2018-01-01

In the past decade, the drug design technologies have been improved enormously. The computer-aided drug design (CADD) has played an important role in analysis and prediction in drug development, which makes the procedure more economical and efficient. However, computation with big data, such as ZINC containing more than 60 million compounds data and GDB-13 with more than 930 million small molecules, is a noticeable issue of time-consuming problem. Therefore, we propose a novel heterogeneous high performance computing method, named as Hadoop-MCC, integrating Hadoop and GPU, to copy with big chemical structure data efficiently. Hadoop-MCC gains the high availability and fault tolerance from Hadoop, as Hadoop is used to scatter input data to GPU devices and gather the results from GPU devices. Hadoop framework adopts mapper/reducer computation model. In the proposed method, mappers response for fetching SMILES data segments and perform LINGO method on GPU, then reducers collect all comparison results produced by mappers. Due to the high availability of Hadoop, all of LINGO computational jobs on mappers can be completed, even if some of the mappers encounter problems. A comparison of LINGO is performed on each the GPU device in parallel. According to the experimental results, the proposed method on multiple GPU devices can achieve better computational performance than the CUDA-MCC on a single GPU device. Hadoop-MCC is able to achieve scalability, high availability, and fault tolerance granted by Hadoop, and high performance as well by integrating computational power of both of Hadoop and GPU. It has been shown that using the heterogeneous architecture as Hadoop-MCC effectively can enhance better computational performance than on a single GPU device. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Symplectic multi-particle tracking on GPUs

NASA Astrophysics Data System (ADS)

Liu, Zhicong; Qiang, Ji

2018-05-01

A symplectic multi-particle tracking model is implemented on the Graphic Processing Units (GPUs) using the Compute Unified Device Architecture (CUDA) language. The symplectic tracking model can preserve phase space structure and reduce non-physical effects in long term simulation, which is important for beam property evaluation in particle accelerators. Though this model is computationally expensive, it is very suitable for parallelization and can be accelerated significantly by using GPUs. In this paper, we optimized the implementation of the symplectic tracking model on both single GPU and multiple GPUs. Using a single GPU processor, the code achieves a factor of 2-10 speedup for a range of problem sizes compared with the time on a single state-of-the-art Central Processing Unit (CPU) node with similar power consumption and semiconductor technology. It also shows good scalability on a multi-GPU cluster at Oak Ridge Leadership Computing Facility. In an application to beam dynamics simulation, the GPU implementation helps save more than a factor of two total computing time in comparison to the CPU implementation.

GPU-based streaming architectures for fast cone-beam CT image reconstruction and demons deformable registration.

PubMed

Sharp, G C; Kandasamy, N; Singh, H; Folkert, M

2007-10-07

This paper shows how to significantly accelerate cone-beam CT reconstruction and 3D deformable image registration using the stream-processing model. We describe data-parallel designs for the Feldkamp, Davis and Kress (FDK) reconstruction algorithm, and the demons deformable registration algorithm, suitable for use on a commodity graphics processing unit. The streaming versions of these algorithms are implemented using the Brook programming environment and executed on an NVidia 8800 GPU. Performance results using CT data of a preserved swine lung indicate that the GPU-based implementations of the FDK and demons algorithms achieve a substantial speedup--up to 80 times for FDK and 70 times for demons when compared to an optimized reference implementation on a 2.8 GHz Intel processor. In addition, the accuracy of the GPU-based implementations was found to be excellent. Compared with CPU-based implementations, the RMS differences were less than 0.1 Hounsfield unit for reconstruction and less than 0.1 mm for deformable registration.

Power and Performance Trade-offs for Space Time Adaptive Processing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gawande, Nitin A.; Manzano Franco, Joseph B.; Tumeo, Antonino

Computational efficiency – performance relative to power or energy – is one of the most important concerns when designing RADAR processing systems. This paper analyzes power and performance trade-offs for a typical Space Time Adaptive Processing (STAP) application. We study STAP implementations for CUDA and OpenMP on two computationally efficient architectures, Intel Haswell Core I7-4770TE and NVIDIA Kayla with a GK208 GPU. We analyze the power and performance of STAP’s computationally intensive kernels across the two hardware testbeds. We also show the impact and trade-offs of GPU optimization techniques. We show that data parallelism can be exploited for efficient implementationmore » on the Haswell CPU architecture. The GPU architecture is able to process large size data sets without increase in power requirement. The use of shared memory has a significant impact on the power requirement for the GPU. A balance between the use of shared memory and main memory access leads to an improved performance in a typical STAP application.« less

Efficient Acceleration of the Pair-HMMs Forward Algorithm for GATK HaplotypeCaller on Graphics Processing Units.

PubMed

Ren, Shanshan; Bertels, Koen; Al-Ars, Zaid

2018-01-01

GATK HaplotypeCaller (HC) is a popular variant caller, which is widely used to identify variants in complex genomes. However, due to its high variants detection accuracy, it suffers from long execution time. In GATK HC, the pair-HMMs forward algorithm accounts for a large percentage of the total execution time. This article proposes to accelerate the pair-HMMs forward algorithm on graphics processing units (GPUs) to improve the performance of GATK HC. This article presents several GPU-based implementations of the pair-HMMs forward algorithm. It also analyzes the performance bottlenecks of the implementations on an NVIDIA Tesla K40 card with various data sets. Based on these results and the characteristics of GATK HC, we are able to identify the GPU-based implementations with the highest performance for the various analyzed data sets. Experimental results show that the GPU-based implementations of the pair-HMMs forward algorithm achieve a speedup of up to 5.47× over existing GPU-based implementations.

Multicore and GPU algorithms for Nussinov RNA folding

PubMed Central

2014-01-01

Background One segment of a RNA sequence might be paired with another segment of the same RNA sequence due to the force of hydrogen bonds. This two-dimensional structure is called the RNA sequence's secondary structure. Several algorithms have been proposed to predict an RNA sequence's secondary structure. These algorithms are referred to as RNA folding algorithms. Results We develop cache efficient, multicore, and GPU algorithms for RNA folding using Nussinov's algorithm. Conclusions Our cache efficient algorithm provides a speedup between 1.6 and 3.0 relative to a naive straightforward single core code. The multicore version of the cache efficient single core algorithm provides a speedup, relative to the naive single core algorithm, between 7.5 and 14.0 on a 6 core hyperthreaded CPU. Our GPU algorithm for the NVIDIA C2050 is up to 1582 times as fast as the naive single core algorithm and between 5.1 and 11.2 times as fast as the fastest previously known GPU algorithm for Nussinov RNA folding. PMID:25082539

Improving Running Times for the Determination of Fractional Snow-Covered Area from Landsat TM/ETM+ via Utilization of the CUDA® Programming Paradigm

NASA Astrophysics Data System (ADS)

McGibbney, L. J.; Rittger, K.; Painter, T. H.; Selkowitz, D.; Mattmann, C. A.; Ramirez, P.

2014-12-01

As part of a JPL-USGS collaboration to expand distribution of essential climate variables (ECV) to include on-demand fractional snow cover we describe our experience and implementation of a shift towards the use of NVIDIA's CUDA® parallel computing platform and programming model. In particular the on-demand aspect of this work involves the improvement (via faster processing and a reduction in overall running times) for determination of fractional snow-covered area (fSCA) from Landsat TM/ETM+. Our observations indicate that processing tasks associated with remote sensing including the Snow Covered Area and Grain Size Model (SCAG) when applied to MODIS or LANDSAT TM/ETM+ are computationally intensive processes. We believe the shift to the CUDA programming paradigm represents a significant improvement in the ability to more quickly assert the outcomes of such activities. We use the TMSCAG model as our subject to highlight this argument. We do this by describing how we can ingest a LANDSAT surface reflectance image (typically provided in HDF format), perform spectral mixture analysis to produce land cover fractions including snow, vegetation and rock/soil whilst greatly reducing running time for such tasks. Within the scope of this work we first document the original workflow used to assert fSCA for Landsat TM and it's primary shortcomings. We then introduce the logic and justification behind the switch to the CUDA paradigm for running single as well as batch jobs on the GPU in order to achieve parallel processing. Finally we share lessons learned from the implementation of myriad of existing algorithms to a single set of code in a single target language as well as benefits this ultimately provides scientists at the USGS.

Multi-GPGPU Tsunami simulation at Toyama-bay

NASA Astrophysics Data System (ADS)

Furuyama, Shoichi; Ueda, Yuki

2017-07-01

Accelerated multi General Purpose Graphics Processing Unit (GPGPU) calculation for Tsunami run-up simulation was achieved at the wide area (whole Toyama-bay in Japan) by faster computation technique. Toyama-bay has active-faults at the sea-bed. It has a high possibility to occur earthquakes and Tsunami waves in the case of the huge earthquake, that's why to predict the area of Tsunami run-up is important for decreasing damages to residents by the disaster. However it is very hard task to achieve the simulation by the computer resources problem. A several meter's order of the high resolution calculation is required for the running-up Tsunami simulation because artificial structures on the ground such as roads, buildings, and houses are very small. On the other hand the huge area simulation is also required. In the Toyama-bay case the area is 42 [km] × 15 [km]. When 5 [m] × 5 [m] size computational cells are used for the simulation, over 26,000,000 computational cells are generated. To calculate the simulation, a normal CPU desktop computer took about 10 hours for the calculation. An improvement of calculation time is important problem for the immediate prediction system of Tsunami running-up, as a result it will contribute to protect a lot of residents around the coastal region. The study tried to decrease this calculation time by using multi GPGPU system which is equipped with six NVIDIA TESLA K20xs, InfiniBand network connection between computer nodes by MVAPICH library. As a result 5.16 times faster calculation was achieved on six GPUs than one GPU case and it was 86% parallel efficiency to the linear speed up.

Near-realtime simulations of biolelectric activity in small mammalian hearts using graphical processing units

PubMed Central

Vigmond, Edward J.; Boyle, Patrick M.; Leon, L. Joshua; Plank, Gernot

2014-01-01

Simulations of cardiac bioelectric phenomena remain a significant challenge despite continual advancements in computational machinery. Spanning large temporal and spatial ranges demands millions of nodes to accurately depict geometry, and a comparable number of timesteps to capture dynamics. This study explores a new hardware computing paradigm, the graphics processing unit (GPU), to accelerate cardiac models, and analyzes results in the context of simulating a small mammalian heart in real time. The ODEs associated with membrane ionic flow were computed on traditional CPU and compared to GPU performance, for one to four parallel processing units. The scalability of solving the PDE responsible for tissue coupling was examined on a cluster using up to 128 cores. Results indicate that the GPU implementation was between 9 and 17 times faster than the CPU implementation and scaled similarly. Solving the PDE was still 160 times slower than real time. PMID:19964295

Benchmarking GPU and CPU codes for Heisenberg spin glass over-relaxation

NASA Astrophysics Data System (ADS)

Bernaschi, M.; Parisi, G.; Parisi, L.

2011-06-01

We present a set of possible implementations for Graphics Processing Units (GPU) of the Over-relaxation technique applied to the 3D Heisenberg spin glass model. The results show that a carefully tuned code can achieve more than 100 GFlops/s of sustained performance and update a single spin in about 0.6 nanoseconds. A multi-hit technique that exploits the GPU shared memory further reduces this time. Such results are compared with those obtained by means of a highly-tuned vector-parallel code on latest generation multi-core CPUs.

Simultaneous Range-Velocity Processing and SNR Analysis of AFIT’s Random Noise Radar

DTIC Science & Technology

2012-03-22

reducing the overall processing time. Two computers, equipped with NVIDIA ® GPUs, were used to process the col- 45 lected data. The specifications for each...gather the results back to the CPU. Another company , AccelerEyes®, has developed a product called Jacket® that claims to be better than the parallel...Number of Processing Cores 4 8 Processor Speed 3.33 GHz 3.07 GHz Installed Memory 48 GB 48 GB GPU Make NVIDIA NVIDIA GPU Model Tesla 1060 Tesla C2070 GPU

Improving GPU-accelerated adaptive IDW interpolation algorithm using fast kNN search.

PubMed

Mei, Gang; Xu, Nengxiong; Xu, Liangliang

2016-01-01

This paper presents an efficient parallel Adaptive Inverse Distance Weighting (AIDW) interpolation algorithm on modern Graphics Processing Unit (GPU). The presented algorithm is an improvement of our previous GPU-accelerated AIDW algorithm by adopting fast k-nearest neighbors (kNN) search. In AIDW, it needs to find several nearest neighboring data points for each interpolated point to adaptively determine the power parameter; and then the desired prediction value of the interpolated point is obtained by weighted interpolating using the power parameter. In this work, we develop a fast kNN search approach based on the space-partitioning data structure, even grid, to improve the previous GPU-accelerated AIDW algorithm. The improved algorithm is composed of the stages of kNN search and weighted interpolating. To evaluate the performance of the improved algorithm, we perform five groups of experimental tests. The experimental results indicate: (1) the improved algorithm can achieve a speedup of up to 1017 over the corresponding serial algorithm; (2) the improved algorithm is at least two times faster than our previous GPU-accelerated AIDW algorithm; and (3) the utilization of fast kNN search can significantly improve the computational efficiency of the entire GPU-accelerated AIDW algorithm.

Accelerating image reconstruction in dual-head PET system by GPU and symmetry properties.

PubMed

Chou, Cheng-Ying; Dong, Yun; Hung, Yukai; Kao, Yu-Jiun; Wang, Weichung; Kao, Chien-Min; Chen, Chin-Tu

2012-01-01

Positron emission tomography (PET) is an important imaging modality in both clinical usage and research studies. We have developed a compact high-sensitivity PET system that consisted of two large-area panel PET detector heads, which produce more than 224 million lines of response and thus request dramatic computational demands. In this work, we employed a state-of-the-art graphics processing unit (GPU), NVIDIA Tesla C2070, to yield an efficient reconstruction process. Our approaches ingeniously integrate the distinguished features of the symmetry properties of the imaging system and GPU architectures, including block/warp/thread assignments and effective memory usage, to accelerate the computations for ordered subset expectation maximization (OSEM) image reconstruction. The OSEM reconstruction algorithms were implemented employing both CPU-based and GPU-based codes, and their computational performance was quantitatively analyzed and compared. The results showed that the GPU-accelerated scheme can drastically reduce the reconstruction time and thus can largely expand the applicability of the dual-head PET system.

Production Level CFD Code Acceleration for Hybrid Many-Core Architectures

NASA Technical Reports Server (NTRS)

Duffy, Austen C.; Hammond, Dana P.; Nielsen, Eric J.

2012-01-01

In this work, a novel graphics processing unit (GPU) distributed sharing model for hybrid many-core architectures is introduced and employed in the acceleration of a production-level computational fluid dynamics (CFD) code. The latest generation graphics hardware allows multiple processor cores to simultaneously share a single GPU through concurrent kernel execution. This feature has allowed the NASA FUN3D code to be accelerated in parallel with up to four processor cores sharing a single GPU. For codes to scale and fully use resources on these and the next generation machines, codes will need to employ some type of GPU sharing model, as presented in this work. Findings include the effects of GPU sharing on overall performance. A discussion of the inherent challenges that parallel unstructured CFD codes face in accelerator-based computing environments is included, with considerations for future generation architectures. This work was completed by the author in August 2010, and reflects the analysis and results of the time.

Interactive Light Stimulus Generation with High Performance Real-Time Image Processing and Simple Scripting.

PubMed

Szécsi, László; Kacsó, Ágota; Zeck, Günther; Hantz, Péter

2017-01-01

Light stimulation with precise and complex spatial and temporal modulation is demanded by a series of research fields like visual neuroscience, optogenetics, ophthalmology, and visual psychophysics. We developed a user-friendly and flexible stimulus generating framework (GEARS GPU-based Eye And Retina Stimulation Software), which offers access to GPU computing power, and allows interactive modification of stimulus parameters during experiments. Furthermore, it has built-in support for driving external equipment, as well as for synchronization tasks, via USB ports. The use of GEARS does not require elaborate programming skills. The necessary scripting is visually aided by an intuitive interface, while the details of the underlying software and hardware components remain hidden. Internally, the software is a C++/Python hybrid using OpenGL graphics. Computations are performed on the GPU, and are defined in the GLSL shading language. However, all GPU settings, including the GPU shader programs, are automatically generated by GEARS. This is configured through a method encountered in game programming, which allows high flexibility: stimuli are straightforwardly composed using a broad library of basic components. Stimulus rendering is implemented solely in C++, therefore intermediary libraries for interfacing could be omitted. This enables the program to perform computationally demanding tasks like en-masse random number generation or real-time image processing by local and global operations.

GPU-accelerated Kernel Regression Reconstruction for Freehand 3D Ultrasound Imaging.

PubMed

Wen, Tiexiang; Li, Ling; Zhu, Qingsong; Qin, Wenjian; Gu, Jia; Yang, Feng; Xie, Yaoqin

2017-07-01

Volume reconstruction method plays an important role in improving reconstructed volumetric image quality for freehand three-dimensional (3D) ultrasound imaging. By utilizing the capability of programmable graphics processing unit (GPU), we can achieve a real-time incremental volume reconstruction at a speed of 25-50 frames per second (fps). After incremental reconstruction and visualization, hole-filling is performed on GPU to fill remaining empty voxels. However, traditional pixel nearest neighbor-based hole-filling fails to reconstruct volume with high image quality. On the contrary, the kernel regression provides an accurate volume reconstruction method for 3D ultrasound imaging but with the cost of heavy computational complexity. In this paper, a GPU-based fast kernel regression method is proposed for high-quality volume after the incremental reconstruction of freehand ultrasound. The experimental results show that improved image quality for speckle reduction and details preservation can be obtained with the parameter setting of kernel window size of [Formula: see text] and kernel bandwidth of 1.0. The computational performance of the proposed GPU-based method can be over 200 times faster than that on central processing unit (CPU), and the volume with size of 50 million voxels in our experiment can be reconstructed within 10 seconds.

The CUBLAS and CULA based GPU acceleration of adaptive finite element framework for bioluminescence tomography.

PubMed

Zhang, Bo; Yang, Xiang; Yang, Fei; Yang, Xin; Qin, Chenghu; Han, Dong; Ma, Xibo; Liu, Kai; Tian, Jie

2010-09-13

In molecular imaging (MI), especially the optical molecular imaging, bioluminescence tomography (BLT) emerges as an effective imaging modality for small animal imaging. The finite element methods (FEMs), especially the adaptive finite element (AFE) framework, play an important role in BLT. The processing speed of the FEMs and the AFE framework still needs to be improved, although the multi-thread CPU technology and the multi CPU technology have already been applied. In this paper, we for the first time introduce a new kind of acceleration technology to accelerate the AFE framework for BLT, using the graphics processing unit (GPU). Besides the processing speed, the GPU technology can get a balance between the cost and performance. The CUBLAS and CULA are two main important and powerful libraries for programming on NVIDIA GPUs. With the help of CUBLAS and CULA, it is easy to code on NVIDIA GPU and there is no need to worry about the details about the hardware environment of a specific GPU. The numerical experiments are designed to show the necessity, effect and application of the proposed CUBLAS and CULA based GPU acceleration. From the results of the experiments, we can reach the conclusion that the proposed CUBLAS and CULA based GPU acceleration method can improve the processing speed of the AFE framework very much while getting a balance between cost and performance.

OSCAR a Matlab based optical FFT code

NASA Astrophysics Data System (ADS)

Degallaix, Jérôme

2010-05-01

Optical simulation softwares are essential tools for designing and commissioning laser interferometers. This article aims to introduce OSCAR, a Matlab based FFT code, to the experimentalist community. OSCAR (Optical Simulation Containing Ansys Results) is used to simulate the steady state electric fields in optical cavities with realistic mirrors. The main advantage of OSCAR over other similar packages is the simplicity of its code requiring only a short time to master. As a result, even for a beginner, it is relatively easy to modify OSCAR to suit other specific purposes. OSCAR includes an extensive manual and numerous detailed examples such as simulating thermal aberration, calculating cavity eigen modes and diffraction loss, simulating flat beam cavities and three mirror ring cavities. An example is also provided about how to run OSCAR on the GPU of modern graphic cards instead of the CPU, making the simulation up to 20 times faster.

Particle-In-Cell simulations of high pressure plasmas using graphics processing units

NASA Astrophysics Data System (ADS)

Gebhardt, Markus; Atteln, Frank; Brinkmann, Ralf Peter; Mussenbrock, Thomas; Mertmann, Philipp; Awakowicz, Peter

2009-10-01

Particle-In-Cell (PIC) simulations are widely used to understand the fundamental phenomena in low-temperature plasmas. Particularly plasmas at very low gas pressures are studied using PIC methods. The inherent drawback of these methods is that they are very time consuming -- certain stability conditions has to be satisfied. This holds even more for the PIC simulation of high pressure plasmas due to the very high collision rates. The simulations take up to very much time to run on standard computers and require the help of computer clusters or super computers. Recent advances in the field of graphics processing units (GPUs) provides every personal computer with a highly parallel multi processor architecture for very little money. This architecture is freely programmable and can be used to implement a wide class of problems. In this paper we present the concepts of a fully parallel PIC simulation of high pressure plasmas using the benefits of GPU programming.

Ramses-GPU: Second order MUSCL-Handcock finite volume fluid solver

NASA Astrophysics Data System (ADS)

Kestener, Pierre

2017-10-01

RamsesGPU is a reimplementation of RAMSES (ascl:1011.007) which drops the adaptive mesh refinement (AMR) features to optimize 3D uniform grid algorithms for modern graphics processor units (GPU) to provide an efficient software package for astrophysics applications that do not need AMR features but do require a very large number of integration time steps. RamsesGPU provides an very efficient C++/CUDA/MPI software implementation of a second order MUSCL-Handcock finite volume fluid solver for compressible hydrodynamics as a magnetohydrodynamics solver based on the constraint transport technique. Other useful modules includes static gravity, dissipative terms (viscosity, resistivity), and forcing source term for turbulence studies, and special care was taken to enhance parallel input/output performance by using state-of-the-art libraries such as HDF5 and parallel-netcdf.

Simulation of ring polymer melts with GPU acceleration

NASA Astrophysics Data System (ADS)

Schram, R. D.; Barkema, G. T.

2018-06-01

We implemented the elastic lattice polymer model on the GPU (Graphics Processing Unit), and show that the GPU is very efficient for polymer simulations of dense polymer melts. The implementation is able to perform up to 4.1 ṡ109 Monte Carlo moves per second. Compared to our standard CPU implementation, we find an effective speed-up of a factor 92. Using this GPU implementation we studied the equilibrium properties and the dynamics of non-concatenated ring polymers in a melt of such polymers, using Rouse modes. With increasing polymer length, we found a very slow transition to compactness with a growth exponent ν ≈ 1 / 3. Numerically we find that the longest internal time scale of the polymer scales as N3.1, with N the molecular weight of the ring polymer.

Overview of implementation of DARPA GPU program in SAIC

NASA Astrophysics Data System (ADS)

Braunreiter, Dennis; Furtek, Jeremy; Chen, Hai-Wen; Healy, Dennis

2008-04-01

This paper reviews the implementation of DARPA MTO STAP-BOY program for both Phase I and II conducted at Science Applications International Corporation (SAIC). The STAP-BOY program conducts fast covariance factorization and tuning techniques for space-time adaptive process (STAP) Algorithm Implementation on Graphics Processor unit (GPU) Architectures for Embedded Systems. The first part of our presentation on the DARPA STAP-BOY program will focus on GPU implementation and algorithm innovations for a prototype radar STAP algorithm. The STAP algorithm will be implemented on the GPU, using stream programming (from companies such as PeakStream, ATI Technologies' CTM, and NVIDIA) and traditional graphics APIs. This algorithm will include fast range adaptive STAP weight updates and beamforming applications, each of which has been modified to exploit the parallel nature of graphics architectures.

GPU-based Green’s function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models

NASA Astrophysics Data System (ADS)

Yang, Yiqun; Urban, Matthew W.; McGough, Robert J.

2018-05-01

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green’s functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green’s function approach are ideally suited for high-performance GPUs.

Efficient parallel implementation of active appearance model fitting algorithm on GPU.

PubMed

Wang, Jinwei; Ma, Xirong; Zhu, Yuanping; Sun, Jizhou

2014-01-01

The active appearance model (AAM) is one of the most powerful model-based object detecting and tracking methods which has been widely used in various situations. However, the high-dimensional texture representation causes very time-consuming computations, which makes the AAM difficult to apply to real-time systems. The emergence of modern graphics processing units (GPUs) that feature a many-core, fine-grained parallel architecture provides new and promising solutions to overcome the computational challenge. In this paper, we propose an efficient parallel implementation of the AAM fitting algorithm on GPUs. Our design idea is fine grain parallelism in which we distribute the texture data of the AAM, in pixels, to thousands of parallel GPU threads for processing, which makes the algorithm fit better into the GPU architecture. We implement our algorithm using the compute unified device architecture (CUDA) on the Nvidia's GTX 650 GPU, which has the latest Kepler architecture. To compare the performance of our algorithm with different data sizes, we built sixteen face AAM models of different dimensional textures. The experiment results show that our parallel AAM fitting algorithm can achieve real-time performance for videos even on very high-dimensional textures.

Efficient Parallel Implementation of Active Appearance Model Fitting Algorithm on GPU

PubMed Central

Wang, Jinwei; Ma, Xirong; Zhu, Yuanping; Sun, Jizhou

2014-01-01

The active appearance model (AAM) is one of the most powerful model-based object detecting and tracking methods which has been widely used in various situations. However, the high-dimensional texture representation causes very time-consuming computations, which makes the AAM difficult to apply to real-time systems. The emergence of modern graphics processing units (GPUs) that feature a many-core, fine-grained parallel architecture provides new and promising solutions to overcome the computational challenge. In this paper, we propose an efficient parallel implementation of the AAM fitting algorithm on GPUs. Our design idea is fine grain parallelism in which we distribute the texture data of the AAM, in pixels, to thousands of parallel GPU threads for processing, which makes the algorithm fit better into the GPU architecture. We implement our algorithm using the compute unified device architecture (CUDA) on the Nvidia's GTX 650 GPU, which has the latest Kepler architecture. To compare the performance of our algorithm with different data sizes, we built sixteen face AAM models of different dimensional textures. The experiment results show that our parallel AAM fitting algorithm can achieve real-time performance for videos even on very high-dimensional textures. PMID:24723812

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

PubMed Central

Páll, Szilárd; Fechner, Martin; Esztermann, Ansgar; de Groot, Bert L.; Grubmüller, Helmut

2015-01-01

The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware features are well‐exploited with a combination of single instruction multiple data, multithreading, and message passing interface (MPI)‐based single program multiple data/multiple program multiple data parallelism while graphics processing units (GPUs) can be used as accelerators to compute interactions off‐loaded from the CPU. Here, we evaluate which hardware produces trajectories with GROMACS 4.6 or 5.0 in the most economical way. We have assembled and benchmarked compute nodes with various CPU/GPU combinations to identify optimal compositions in terms of raw trajectory production rate, performance‐to‐price ratio, energy efficiency, and several other criteria. Although hardware prices are naturally subject to trends and fluctuations, general tendencies are clearly visible. Adding any type of GPU significantly boosts a node's simulation performance. For inexpensive consumer‐class GPUs this improvement equally reflects in the performance‐to‐price ratio. Although memory issues in consumer‐class GPUs could pass unnoticed as these cards do not support error checking and correction memory, unreliable GPUs can be sorted out with memory checking tools. Apart from the obvious determinants for cost‐efficiency like hardware expenses and raw performance, the energy consumption of a node is a major cost factor. Over the typical hardware lifetime until replacement of a few years, the costs for electrical power and cooling can become larger than the costs of the hardware itself. Taking that into account, nodes with a well‐balanced ratio of CPU and consumer‐class GPU resources produce the maximum amount of GROMACS trajectory over their lifetime. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:26238484

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.

PubMed

Kutzner, Carsten; Páll, Szilárd; Fechner, Martin; Esztermann, Ansgar; de Groot, Bert L; Grubmüller, Helmut

2015-10-05

The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware features are well-exploited with a combination of single instruction multiple data, multithreading, and message passing interface (MPI)-based single program multiple data/multiple program multiple data parallelism while graphics processing units (GPUs) can be used as accelerators to compute interactions off-loaded from the CPU. Here, we evaluate which hardware produces trajectories with GROMACS 4.6 or 5.0 in the most economical way. We have assembled and benchmarked compute nodes with various CPU/GPU combinations to identify optimal compositions in terms of raw trajectory production rate, performance-to-price ratio, energy efficiency, and several other criteria. Although hardware prices are naturally subject to trends and fluctuations, general tendencies are clearly visible. Adding any type of GPU significantly boosts a node's simulation performance. For inexpensive consumer-class GPUs this improvement equally reflects in the performance-to-price ratio. Although memory issues in consumer-class GPUs could pass unnoticed as these cards do not support error checking and correction memory, unreliable GPUs can be sorted out with memory checking tools. Apart from the obvious determinants for cost-efficiency like hardware expenses and raw performance, the energy consumption of a node is a major cost factor. Over the typical hardware lifetime until replacement of a few years, the costs for electrical power and cooling can become larger than the costs of the hardware itself. Taking that into account, nodes with a well-balanced ratio of CPU and consumer-class GPU resources produce the maximum amount of GROMACS trajectory over their lifetime. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

Multi-GPU implementation of a VMAT treatment plan optimization algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tian, Zhen, E-mail: Zhen.Tian@UTSouthwestern.edu, E-mail: Xun.Jia@UTSouthwestern.edu, E-mail: Steve.Jiang@UTSouthwestern.edu; Folkerts, Michael; Tan, Jun

Purpose: Volumetric modulated arc therapy (VMAT) optimization is a computationally challenging problem due to its large data size, high degrees of freedom, and many hardware constraints. High-performance graphics processing units (GPUs) have been used to speed up the computations. However, GPU’s relatively small memory size cannot handle cases with a large dose-deposition coefficient (DDC) matrix in cases of, e.g., those with a large target size, multiple targets, multiple arcs, and/or small beamlet size. The main purpose of this paper is to report an implementation of a column-generation-based VMAT algorithm, previously developed in the authors’ group, on a multi-GPU platform tomore » solve the memory limitation problem. While the column-generation-based VMAT algorithm has been previously developed, the GPU implementation details have not been reported. Hence, another purpose is to present detailed techniques employed for GPU implementation. The authors also would like to utilize this particular problem as an example problem to study the feasibility of using a multi-GPU platform to solve large-scale problems in medical physics. Methods: The column-generation approach generates VMAT apertures sequentially by solving a pricing problem (PP) and a master problem (MP) iteratively. In the authors’ method, the sparse DDC matrix is first stored on a CPU in coordinate list format (COO). On the GPU side, this matrix is split into four submatrices according to beam angles, which are stored on four GPUs in compressed sparse row format. Computation of beamlet price, the first step in PP, is accomplished using multi-GPUs. A fast inter-GPU data transfer scheme is accomplished using peer-to-peer access. The remaining steps of PP and MP problems are implemented on CPU or a single GPU due to their modest problem scale and computational loads. Barzilai and Borwein algorithm with a subspace step scheme is adopted here to solve the MP problem. A head and neck (H and N) cancer case is then used to validate the authors’ method. The authors also compare their multi-GPU implementation with three different single GPU implementation strategies, i.e., truncating DDC matrix (S1), repeatedly transferring DDC matrix between CPU and GPU (S2), and porting computations involving DDC matrix to CPU (S3), in terms of both plan quality and computational efficiency. Two more H and N patient cases and three prostate cases are used to demonstrate the advantages of the authors’ method. Results: The authors’ multi-GPU implementation can finish the optimization process within ∼1 min for the H and N patient case. S1 leads to an inferior plan quality although its total time was 10 s shorter than the multi-GPU implementation due to the reduced matrix size. S2 and S3 yield the same plan quality as the multi-GPU implementation but take ∼4 and ∼6 min, respectively. High computational efficiency was consistently achieved for the other five patient cases tested, with VMAT plans of clinically acceptable quality obtained within 23–46 s. Conversely, to obtain clinically comparable or acceptable plans for all six of these VMAT cases that the authors have tested in this paper, the optimization time needed in a commercial TPS system on CPU was found to be in an order of several minutes. Conclusions: The results demonstrate that the multi-GPU implementation of the authors’ column-generation-based VMAT optimization can handle the large-scale VMAT optimization problem efficiently without sacrificing plan quality. The authors’ study may serve as an example to shed some light on other large-scale medical physics problems that require multi-GPU techniques.« less

Fast 3D dosimetric verifications based on an electronic portal imaging device using a GPU calculation engine.

PubMed

Zhu, Jinhan; Chen, Lixin; Chen, Along; Luo, Guangwen; Deng, Xiaowu; Liu, Xiaowei

2015-04-11

To use a graphic processing unit (GPU) calculation engine to implement a fast 3D pre-treatment dosimetric verification procedure based on an electronic portal imaging device (EPID). The GPU algorithm includes the deconvolution and convolution method for the fluence-map calculations, the collapsed-cone convolution/superposition (CCCS) algorithm for the 3D dose calculations and the 3D gamma evaluation calculations. The results of the GPU-based CCCS algorithm were compared to those of Monte Carlo simulations. The planned and EPID-based reconstructed dose distributions in overridden-to-water phantoms and the original patients were compared for 6 MV and 10 MV photon beams in intensity-modulated radiation therapy (IMRT) treatment plans based on dose differences and gamma analysis. The total single-field dose computation time was less than 8 s, and the gamma evaluation for a 0.1-cm grid resolution was completed in approximately 1 s. The results of the GPU-based CCCS algorithm exhibited good agreement with those of the Monte Carlo simulations. The gamma analysis indicated good agreement between the planned and reconstructed dose distributions for the treatment plans. For the target volume, the differences in the mean dose were less than 1.8%, and the differences in the maximum dose were less than 2.5%. For the critical organs, minor differences were observed between the reconstructed and planned doses. The GPU calculation engine was used to boost the speed of 3D dose and gamma evaluation calculations, thus offering the possibility of true real-time 3D dosimetric verification.

Roofline model toolkit: A practical tool for architectural and program analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lo, Yu Jung; Williams, Samuel; Van Straalen, Brian

We present preliminary results of the Roofline Toolkit for multicore, many core, and accelerated architectures. This paper focuses on the processor architecture characterization engine, a collection of portable instrumented micro benchmarks implemented with Message Passing Interface (MPI), and OpenMP used to express thread-level parallelism. These benchmarks are specialized to quantify the behavior of different architectural features. Compared to previous work on performance characterization, these microbenchmarks focus on capturing the performance of each level of the memory hierarchy, along with thread-level parallelism, instruction-level parallelism and explicit SIMD parallelism, measured in the context of the compilers and run-time environments. We also measuremore » sustained PCIe throughput with four GPU memory managed mechanisms. By combining results from the architecture characterization with the Roofline model based solely on architectural specifications, this work offers insights for performance prediction of current and future architectures and their software systems. To that end, we instrument three applications and plot their resultant performance on the corresponding Roofline model when run on a Blue Gene/Q architecture.« less

Frog: Asynchronous Graph Processing on GPU with Hybrid Coloring Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Xuanhua; Luo, Xuan; Liang, Junling

GPUs have been increasingly used to accelerate graph processing for complicated computational problems regarding graph theory. Many parallel graph algorithms adopt the asynchronous computing model to accelerate the iterative convergence. Unfortunately, the consistent asynchronous computing requires locking or atomic operations, leading to significant penalties/overheads when implemented on GPUs. As such, coloring algorithm is adopted to separate the vertices with potential updating conflicts, guaranteeing the consistency/correctness of the parallel processing. Common coloring algorithms, however, may suffer from low parallelism because of a large number of colors generally required for processing a large-scale graph with billions of vertices. We propose a light-weightmore » asynchronous processing framework called Frog with a preprocessing/hybrid coloring model. The fundamental idea is based on Pareto principle (or 80-20 rule) about coloring algorithms as we observed through masses of realworld graph coloring cases. We find that a majority of vertices (about 80%) are colored with only a few colors, such that they can be read and updated in a very high degree of parallelism without violating the sequential consistency. Accordingly, our solution separates the processing of the vertices based on the distribution of colors. In this work, we mainly answer three questions: (1) how to partition the vertices in a sparse graph with maximized parallelism, (2) how to process large-scale graphs that cannot fit into GPU memory, and (3) how to reduce the overhead of data transfers on PCIe while processing each partition. We conduct experiments on real-world data (Amazon, DBLP, YouTube, RoadNet-CA, WikiTalk and Twitter) to evaluate our approach and make comparisons with well-known non-preprocessed (such as Totem, Medusa, MapGraph and Gunrock) and preprocessed (Cusha) approaches, by testing four classical algorithms (BFS, PageRank, SSSP and CC). On all the tested applications and datasets, Frog is able to significantly outperform existing GPU-based graph processing systems except Gunrock and MapGraph. MapGraph gets better performance than Frog when running BFS on RoadNet-CA. The comparison between Gunrock and Frog is inconclusive. Frog can outperform Gunrock more than 1.04X when running PageRank and SSSP, while the advantage of Frog is not obvious when running BFS and CC on some datasets especially for RoadNet-CA.« less

High-power baseline and motoring test results for the GPU-3 Stirling engine

NASA Technical Reports Server (NTRS)

Thieme, L. G.

1981-01-01

Test results are given for the full power range of the engine with both helium and hydrogen working fluids. Comparisons are made to previous testing using an alternator and resistance load bank to absorb the engine output. Indicated power results are presented as determined by several methods. Motoring tests were run to aid in determining engine mechanical losses. Comparisons are made between the results of motoring and energy-balance methods for finding mechanical losses.

Accelerating Pseudo-Random Number Generator for MCNP on GPU

NASA Astrophysics Data System (ADS)

Gong, Chunye; Liu, Jie; Chi, Lihua; Hu, Qingfeng; Deng, Li; Gong, Zhenghu

2010-09-01

Pseudo-random number generators (PRNG) are intensively used in many stochastic algorithms in particle simulations, artificial neural networks and other scientific computation. The PRNG in Monte Carlo N-Particle Transport Code (MCNP) requires long period, high quality, flexible jump and fast enough. In this paper, we implement such a PRNG for MCNP on NVIDIA's GTX200 Graphics Processor Units (GPU) using CUDA programming model. Results shows that 3.80 to 8.10 times speedup are achieved compared with 4 to 6 cores CPUs and more than 679.18 million double precision random numbers can be generated per second on GPU.

A numerical code for the simulation of non-equilibrium chemically reacting flows on hybrid CPU-GPU clusters

NASA Astrophysics Data System (ADS)

Kudryavtsev, Alexey N.; Kashkovsky, Alexander V.; Borisov, Semyon P.; Shershnev, Anton A.

2017-10-01

In the present work a computer code RCFS for numerical simulation of chemically reacting compressible flows on hybrid CPU/GPU supercomputers is developed. It solves 3D unsteady Euler equations for multispecies chemically reacting flows in general curvilinear coordinates using shock-capturing TVD schemes. Time advancement is carried out using the explicit Runge-Kutta TVD schemes. Program implementation uses CUDA application programming interface to perform GPU computations. Data between GPUs is distributed via domain decomposition technique. The developed code is verified on the number of test cases including supersonic flow over a cylinder.

Real-time computation of parameter fitting and image reconstruction using graphical processing units

NASA Astrophysics Data System (ADS)

Locans, Uldis; Adelmann, Andreas; Suter, Andreas; Fischer, Jannis; Lustermann, Werner; Dissertori, Günther; Wang, Qiulin

2017-06-01

In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users. However, programming these devices and integrating their use in existing applications is still a challenging task. In this paper we examined the potential of GPUs for two different applications. The first application, created at Paul Scherrer Institut (PSI), is used for parameter fitting during data analysis of μSR (muon spin rotation, relaxation and resonance) experiments. The second application, developed at ETH, is used for PET (Positron Emission Tomography) image reconstruction and analysis. Applications currently in use were examined to identify parts of the algorithms in need of optimization. Efficient GPU kernels were created in order to allow applications to use a GPU, to speed up the previously identified parts. Benchmarking tests were performed in order to measure the achieved speedup. During this work, we focused on single GPU systems to show that real time data analysis of these problems can be achieved without the need for large computing clusters. The results show that the currently used application for parameter fitting, which uses OpenMP to parallelize calculations over multiple CPU cores, can be accelerated around 40 times through the use of a GPU. The speedup may vary depending on the size and complexity of the problem. For PET image analysis, the obtained speedups of the GPU version were more than × 40 larger compared to a single core CPU implementation. The achieved results show that it is possible to improve the execution time by orders of magnitude.

A GPU-Based Implementation of the Firefly Algorithm for Variable Selection in Multivariate Calibration Problems

PubMed Central

de Paula, Lauro C. M.; Soares, Anderson S.; de Lima, Telma W.; Delbem, Alexandre C. B.; Coelho, Clarimar J.; Filho, Arlindo R. G.

2014-01-01

Several variable selection algorithms in multivariate calibration can be accelerated using Graphics Processing Units (GPU). Among these algorithms, the Firefly Algorithm (FA) is a recent proposed metaheuristic that may be used for variable selection. This paper presents a GPU-based FA (FA-MLR) with multiobjective formulation for variable selection in multivariate calibration problems and compares it with some traditional sequential algorithms in the literature. The advantage of the proposed implementation is demonstrated in an example involving a relatively large number of variables. The results showed that the FA-MLR, in comparison with the traditional algorithms is a more suitable choice and a relevant contribution for the variable selection problem. Additionally, the results also demonstrated that the FA-MLR performed in a GPU can be five times faster than its sequential implementation. PMID:25493625

A GPU-Based Implementation of the Firefly Algorithm for Variable Selection in Multivariate Calibration Problems.

PubMed

de Paula, Lauro C M; Soares, Anderson S; de Lima, Telma W; Delbem, Alexandre C B; Coelho, Clarimar J; Filho, Arlindo R G

2014-01-01

Several variable selection algorithms in multivariate calibration can be accelerated using Graphics Processing Units (GPU). Among these algorithms, the Firefly Algorithm (FA) is a recent proposed metaheuristic that may be used for variable selection. This paper presents a GPU-based FA (FA-MLR) with multiobjective formulation for variable selection in multivariate calibration problems and compares it with some traditional sequential algorithms in the literature. The advantage of the proposed implementation is demonstrated in an example involving a relatively large number of variables. The results showed that the FA-MLR, in comparison with the traditional algorithms is a more suitable choice and a relevant contribution for the variable selection problem. Additionally, the results also demonstrated that the FA-MLR performed in a GPU can be five times faster than its sequential implementation.

Protein-protein docking on hardware accelerators: comparison of GPU and MIC architectures

PubMed Central

2015-01-01

Background The hardware accelerators will provide solutions to computationally complex problems in bioinformatics fields. However, the effect of acceleration depends on the nature of the application, thus selection of an appropriate accelerator requires some consideration. Results In the present study, we compared the effects of acceleration using graphics processing unit (GPU) and many integrated core (MIC) on the speed of fast Fourier transform (FFT)-based protein-protein docking calculation. The GPU implementation performed the protein-protein docking calculations approximately five times faster than the MIC offload mode implementation. The MIC native mode implementation has the advantage in the implementation costs. However, the performance was worse with larger protein pairs because of memory limitations. Conclusion The results suggest that GPU is more suitable than MIC for accelerating FFT-based protein-protein docking applications. PMID:25707855

Dosimetric comparison of helical tomotherapy treatment plans for total marrow irradiation created using GPU and CPU dose calculation engines.

PubMed

Nalichowski, Adrian; Burmeister, Jay

2013-07-01

To compare optimization characteristics, plan quality, and treatment delivery efficiency between total marrow irradiation (TMI) plans using the new TomoTherapy graphic processing unit (GPU) based dose engine and CPU/cluster based dose engine. Five TMI plans created on an anthropomorphic phantom were optimized and calculated with both dose engines. The planning treatment volume (PTV) included all the bones from head to mid femur except for upper extremities. Evaluated organs at risk (OAR) consisted of lung, liver, heart, kidneys, and brain. The following treatment parameters were used to generate the TMI plans: field widths of 2.5 and 5 cm, modulation factors of 2 and 2.5, and pitch of either 0.287 or 0.43. The optimization parameters were chosen based on the PTV and OAR priorities and the plans were optimized with a fixed number of iterations. The PTV constraint was selected to ensure that at least 95% of the PTV received the prescription dose. The plans were evaluated based on D80 and D50 (dose to 80% and 50% of the OAR volume, respectively) and hotspot volumes within the PTVs. Gamma indices (Γ) were also used to compare planar dose distributions between the two modalities. The optimization and dose calculation times were compared between the two systems. The treatment delivery times were also evaluated. The results showed very good dosimetric agreement between the GPU and CPU calculated plans for any of the evaluated planning parameters indicating that both systems converge on nearly identical plans. All D80 and D50 parameters varied by less than 3% of the prescription dose with an average difference of 0.8%. A gamma analysis Γ(3%, 3 mm) < 1 of the GPU plan resulted in over 90% of calculated voxels satisfying Γ < 1 criterion as compared to baseline CPU plan. The average number of voxels meeting the Γ < 1 criterion for all the plans was 97%. In terms of dose optimization/calculation efficiency, there was a 20-fold reduction in planning time with the new GPU system. The average optimization/dose calculation time utilizing the traditional CPU/cluster based system was 579 vs 26.8 min for the GPU based system. There was no difference in the calculated treatment delivery time per fraction. Beam-on time varied based on field width and pitch and ranged between 15 and 28 min. The TomoTherapy GPU based dose engine is capable of calculating TMI treatment plans with plan quality nearly identical to plans calculated using the traditional CPU/cluster based system, while significantly reducing the time required for optimization and dose calculation.

Multi-phase SPH modelling of violent hydrodynamics on GPUs

NASA Astrophysics Data System (ADS)

Mokos, Athanasios; Rogers, Benedict D.; Stansby, Peter K.; Domínguez, José M.

2015-11-01

This paper presents the acceleration of multi-phase smoothed particle hydrodynamics (SPH) using a graphics processing unit (GPU) enabling large numbers of particles (10-20 million) to be simulated on just a single GPU card. With novel hardware architectures such as a GPU, the optimum approach to implement a multi-phase scheme presents some new challenges. Many more particles must be included in the calculation and there are very different speeds of sound in each phase with the largest speed of sound determining the time step. This requires efficient computation. To take full advantage of the hardware acceleration provided by a single GPU for a multi-phase simulation, four different algorithms are investigated: conditional statements, binary operators, separate particle lists and an intermediate global function. Runtime results show that the optimum approach needs to employ separate cell and neighbour lists for each phase. The profiler shows that this approach leads to a reduction in both memory transactions and arithmetic operations giving significant runtime gains. The four different algorithms are compared to the efficiency of the optimised single-phase GPU code, DualSPHysics, for 2-D and 3-D simulations which indicate that the multi-phase functionality has a significant computational overhead. A comparison with an optimised CPU code shows a speed up of an order of magnitude over an OpenMP simulation with 8 threads and two orders of magnitude over a single thread simulation. A demonstration of the multi-phase SPH GPU code is provided by a 3-D dam break case impacting an obstacle. This shows better agreement with experimental results than an equivalent single-phase code. The multi-phase GPU code enables a convergence study to be undertaken on a single GPU with a large number of particles that otherwise would have required large high performance computing resources.

Democratic population decisions result in robust policy-gradient learning: a parametric study with GPU simulations.

PubMed

Richmond, Paul; Buesing, Lars; Giugliano, Michele; Vasilaki, Eleni

2011-05-04

High performance computing on the Graphics Processing Unit (GPU) is an emerging field driven by the promise of high computational power at a low cost. However, GPU programming is a non-trivial task and moreover architectural limitations raise the question of whether investing effort in this direction may be worthwhile. In this work, we use GPU programming to simulate a two-layer network of Integrate-and-Fire neurons with varying degrees of recurrent connectivity and investigate its ability to learn a simplified navigation task using a policy-gradient learning rule stemming from Reinforcement Learning. The purpose of this paper is twofold. First, we want to support the use of GPUs in the field of Computational Neuroscience. Second, using GPU computing power, we investigate the conditions under which the said architecture and learning rule demonstrate best performance. Our work indicates that networks featuring strong Mexican-Hat-shaped recurrent connections in the top layer, where decision making is governed by the formation of a stable activity bump in the neural population (a "non-democratic" mechanism), achieve mediocre learning results at best. In absence of recurrent connections, where all neurons "vote" independently ("democratic") for a decision via population vector readout, the task is generally learned better and more robustly. Our study would have been extremely difficult on a desktop computer without the use of GPU programming. We present the routines developed for this purpose and show that a speed improvement of 5x up to 42x is provided versus optimised Python code. The higher speed is achieved when we exploit the parallelism of the GPU in the search of learning parameters. This suggests that efficient GPU programming can significantly reduce the time needed for simulating networks of spiking neurons, particularly when multiple parameter configurations are investigated.

Accelerating large-scale simulation of seismic wave propagation by multi-GPUs and three-dimensional domain decomposition

NASA Astrophysics Data System (ADS)

Okamoto, Taro; Takenaka, Hiroshi; Nakamura, Takeshi; Aoki, Takayuki

2010-12-01

We adopted the GPU (graphics processing unit) to accelerate the large-scale finite-difference simulation of seismic wave propagation. The simulation can benefit from the high-memory bandwidth of GPU because it is a "memory intensive" problem. In a single-GPU case we achieved a performance of about 56 GFlops, which was about 45-fold faster than that achieved by a single core of the host central processing unit (CPU). We confirmed that the optimized use of fast shared memory and registers were essential for performance. In the multi-GPU case with three-dimensional domain decomposition, the non-contiguous memory alignment in the ghost zones was found to impose quite long time in data transfer between GPU and the host node. This problem was solved by using contiguous memory buffers for ghost zones. We achieved a performance of about 2.2 TFlops by using 120 GPUs and 330 GB of total memory: nearly (or more than) 2200 cores of host CPUs would be required to achieve the same performance. The weak scaling was nearly proportional to the number of GPUs. We therefore conclude that GPU computing for large-scale simulation of seismic wave propagation is a promising approach as a faster simulation is possible with reduced computational resources compared to CPUs.

Toward GPGPU accelerated human electromechanical cardiac simulations

PubMed Central

Vigueras, Guillermo; Roy, Ishani; Cookson, Andrew; Lee, Jack; Smith, Nicolas; Nordsletten, David

2014-01-01

In this paper, we look at the acceleration of weakly coupled electromechanics using the graphics processing unit (GPU). Specifically, we port to the GPU a number of components of Heart—a CPU-based finite element code developed for simulating multi-physics problems. On the basis of a criterion of computational cost, we implemented on the GPU the ODE and PDE solution steps for the electrophysiology problem and the Jacobian and residual evaluation for the mechanics problem. Performance of the GPU implementation is then compared with single core CPU (SC) execution as well as multi-core CPU (MC) computations with equivalent theoretical performance. Results show that for a human scale left ventricle mesh, GPU acceleration of the electrophysiology problem provided speedups of 164 × compared with SC and 5.5 times compared with MC for the solution of the ODE model. Speedup of up to 72 × compared with SC and 2.6 × compared with MC was also observed for the PDE solve. Using the same human geometry, the GPU implementation of mechanics residual/Jacobian computation provided speedups of up to 44 × compared with SC and 2.0 × compared with MC. © 2013 The Authors. International Journal for Numerical Methods in Biomedical Engineering published by John Wiley & Sons, Ltd. PMID:24115492

Enhancing Cloud Radiative Processes and Radiation Efficiency in the Advanced Research Weather Research and Forecasting (WRF) Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iacono, Michael J.

The objective of this research has been to evaluate and implement enhancements to the computational performance of the RRTMG radiative transfer option in the Advanced Research version of the Weather Research and Forecasting (WRF) model. Efficiency is as essential as accuracy for effective numerical weather prediction, and radiative transfer is a relatively time-consuming component of dynamical models, taking up to 30-50 percent of the total model simulation time. To address this concern, this research has implemented and tested a version of RRTMG that utilizes graphics processing unit (GPU) technology (hereinafter RRTMGPU) to greatly improve its computational performance; thereby permitting eithermore » more frequent simulation of radiative effects or other model enhancements. During the early stages of this project the development of RRTMGPU was completed at AER under separate NASA funding to accelerate the code for use in the Goddard Space Flight Center (GSFC) Goddard Earth Observing System GEOS-5 global model. It should be noted that this final report describes results related to the funded portion of the originally proposed work concerning the acceleration of RRTMG with GPUs in WRF. As a k-distribution model, RRTMG is especially well suited to this modification due to its relatively large internal pseudo-spectral (g-point) dimension that, when combined with the horizontal grid vector in the dynamical model, can take great advantage of the GPU capability. Thorough testing under several model configurations has been performed to ensure that RRTMGPU improves WRF model run time while having no significant impact on calculated radiative fluxes and heating rates or on dynamical model fields relative to the RRTMG radiation. The RRTMGPU codes have been provided to NCAR for possible application to the next public release of the WRF forecast model.« less

Integrative multicellular biological modeling: a case study of 3D epidermal development using GPU algorithms

PubMed Central

2010-01-01

Background Simulation of sophisticated biological models requires considerable computational power. These models typically integrate together numerous biological phenomena such as spatially-explicit heterogeneous cells, cell-cell interactions, cell-environment interactions and intracellular gene networks. The recent advent of programming for graphical processing units (GPU) opens up the possibility of developing more integrative, detailed and predictive biological models while at the same time decreasing the computational cost to simulate those models. Results We construct a 3D model of epidermal development and provide a set of GPU algorithms that executes significantly faster than sequential central processing unit (CPU) code. We provide a parallel implementation of the subcellular element method for individual cells residing in a lattice-free spatial environment. Each cell in our epidermal model includes an internal gene network, which integrates cellular interaction of Notch signaling together with environmental interaction of basement membrane adhesion, to specify cellular state and behaviors such as growth and division. We take a pedagogical approach to describing how modeling methods are efficiently implemented on the GPU including memory layout of data structures and functional decomposition. We discuss various programmatic issues and provide a set of design guidelines for GPU programming that are instructive to avoid common pitfalls as well as to extract performance from the GPU architecture. Conclusions We demonstrate that GPU algorithms represent a significant technological advance for the simulation of complex biological models. We further demonstrate with our epidermal model that the integration of multiple complex modeling methods for heterogeneous multicellular biological processes is both feasible and computationally tractable using this new technology. We hope that the provided algorithms and source code will be a starting point for modelers to develop their own GPU implementations, and encourage others to implement their modeling methods on the GPU and to make that code available to the wider community. PMID:20696053

GPU and APU computations of Finite Time Lyapunov Exponent fields

NASA Astrophysics Data System (ADS)

Conti, Christian; Rossinelli, Diego; Koumoutsakos, Petros

2012-03-01

We present GPU and APU accelerated computations of Finite-Time Lyapunov Exponent (FTLE) fields. The calculation of FTLEs is a computationally intensive process, as in order to obtain the sharp ridges associated with the Lagrangian Coherent Structures an extensive resampling of the flow field is required. The computational performance of this resampling is limited by the memory bandwidth of the underlying computer architecture. The present technique harnesses data-parallel execution of many-core architectures and relies on fast and accurate evaluations of moment conserving functions for the mesh to particle interpolations. We demonstrate how the computation of FTLEs can be efficiently performed on a GPU and on an APU through OpenCL and we report over one order of magnitude improvements over multi-threaded executions in FTLE computations of bluff body flows.

Interactive Light Stimulus Generation with High Performance Real-Time Image Processing and Simple Scripting

PubMed Central

Szécsi, László; Kacsó, Ágota; Zeck, Günther; Hantz, Péter

2017-01-01

Light stimulation with precise and complex spatial and temporal modulation is demanded by a series of research fields like visual neuroscience, optogenetics, ophthalmology, and visual psychophysics. We developed a user-friendly and flexible stimulus generating framework (GEARS GPU-based Eye And Retina Stimulation Software), which offers access to GPU computing power, and allows interactive modification of stimulus parameters during experiments. Furthermore, it has built-in support for driving external equipment, as well as for synchronization tasks, via USB ports. The use of GEARS does not require elaborate programming skills. The necessary scripting is visually aided by an intuitive interface, while the details of the underlying software and hardware components remain hidden. Internally, the software is a C++/Python hybrid using OpenGL graphics. Computations are performed on the GPU, and are defined in the GLSL shading language. However, all GPU settings, including the GPU shader programs, are automatically generated by GEARS. This is configured through a method encountered in game programming, which allows high flexibility: stimuli are straightforwardly composed using a broad library of basic components. Stimulus rendering is implemented solely in C++, therefore intermediary libraries for interfacing could be omitted. This enables the program to perform computationally demanding tasks like en-masse random number generation or real-time image processing by local and global operations. PMID:29326579

Using Graphical Processing Units to Accelerate Orthorectification, Atmospheric Correction and Transformations for Big Data

NASA Astrophysics Data System (ADS)

O'Connor, A. S.; Justice, B.; Harris, A. T.

2013-12-01

Graphics Processing Units (GPUs) are high-performance multiple-core processors capable of very high computational speeds and large data throughput. Modern GPUs are inexpensive and widely available commercially. These are general-purpose parallel processors with support for a variety of programming interfaces, including industry standard languages such as C. GPU implementations of algorithms that are well suited for parallel processing can often achieve speedups of several orders of magnitude over optimized CPU codes. Significant improvements in speeds for imagery orthorectification, atmospheric correction, target detection and image transformations like Independent Components Analsyis (ICA) have been achieved using GPU-based implementations. Additional optimizations, when factored in with GPU processing capabilities, can provide 50x - 100x reduction in the time required to process large imagery. Exelis Visual Information Solutions (VIS) has implemented a CUDA based GPU processing frame work for accelerating ENVI and IDL processes that can best take advantage of parallelization. Testing Exelis VIS has performed shows that orthorectification can take as long as two hours with a WorldView1 35,0000 x 35,000 pixel image. With GPU orthorecification, the same orthorectification process takes three minutes. By speeding up image processing, imagery can successfully be used by first responders, scientists making rapid discoveries with near real time data, and provides an operational component to data centers needing to quickly process and disseminate data.

Fully accelerating quantum Monte Carlo simulations of real materials on GPU clusters

NASA Astrophysics Data System (ADS)

Esler, Kenneth

2011-03-01

Quantum Monte Carlo (QMC) has proved to be an invaluable tool for predicting the properties of matter from fundamental principles, combining very high accuracy with extreme parallel scalability. By solving the many-body Schrödinger equation through a stochastic projection, it achieves greater accuracy than mean-field methods and better scaling with system size than quantum chemical methods, enabling scientific discovery across a broad spectrum of disciplines. In recent years, graphics processing units (GPUs) have provided a high-performance and low-cost new approach to scientific computing, and GPU-based supercomputers are now among the fastest in the world. The multiple forms of parallelism afforded by QMC algorithms make the method an ideal candidate for acceleration in the many-core paradigm. We present the results of porting the QMCPACK code to run on GPU clusters using the NVIDIA CUDA platform. Using mixed precision on GPUs and MPI for intercommunication, we observe typical full-application speedups of approximately 10x to 15x relative to quad-core CPUs alone, while reproducing the double-precision CPU results within statistical error. We discuss the algorithm modifications necessary to achieve good performance on this heterogeneous architecture and present the results of applying our code to molecules and bulk materials. Supported by the U.S. DOE under Contract No. DOE-DE-FG05-08OR23336 and by the NSF under No. 0904572.

Accelerating numerical solution of stochastic differential equations with CUDA

NASA Astrophysics Data System (ADS)

Januszewski, M.; Kostur, M.

2010-01-01

Numerical integration of stochastic differential equations is commonly used in many branches of science. In this paper we present how to accelerate this kind of numerical calculations with popular NVIDIA Graphics Processing Units using the CUDA programming environment. We address general aspects of numerical programming on stream processors and illustrate them by two examples: the noisy phase dynamics in a Josephson junction and the noisy Kuramoto model. In presented cases the measured speedup can be as high as 675× compared to a typical CPU, which corresponds to several billion integration steps per second. This means that calculations which took weeks can now be completed in less than one hour. This brings stochastic simulation to a completely new level, opening for research a whole new range of problems which can now be solved interactively. Program summaryProgram title: SDE Catalogue identifier: AEFG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Gnu GPL v3 No. of lines in distributed program, including test data, etc.: 978 No. of bytes in distributed program, including test data, etc.: 5905 Distribution format: tar.gz Programming language: CUDA C Computer: any system with a CUDA-compatible GPU Operating system: Linux RAM: 64 MB of GPU memory Classification: 4.3 External routines: The program requires the NVIDIA CUDA Toolkit Version 2.0 or newer and the GNU Scientific Library v1.0 or newer. Optionally gnuplot is recommended for quick visualization of the results. Nature of problem: Direct numerical integration of stochastic differential equations is a computationally intensive problem, due to the necessity of calculating multiple independent realizations of the system. We exploit the inherent parallelism of this problem and perform the calculations on GPUs using the CUDA programming environment. The GPU's ability to execute hundreds of threads simultaneously makes it possible to speed up the computation by over two orders of magnitude, compared to a typical modern CPU. Solution method: The stochastic Runge-Kutta method of the second order is applied to integrate the equation of motion. Ensemble-averaged quantities of interest are obtained through averaging over multiple independent realizations of the system. Unusual features: The numerical solution of the stochastic differential equations in question is performed on a GPU using the CUDA environment. Running time: < 1 minute

GPU-based cone beam computed tomography.

PubMed

Noël, Peter B; Walczak, Alan M; Xu, Jinhui; Corso, Jason J; Hoffmann, Kenneth R; Schafer, Sebastian

2010-06-01

The use of cone beam computed tomography (CBCT) is growing in the clinical arena due to its ability to provide 3D information during interventions, its high diagnostic quality (sub-millimeter resolution), and its short scanning times (60 s). In many situations, the short scanning time of CBCT is followed by a time-consuming 3D reconstruction. The standard reconstruction algorithm for CBCT data is the filtered backprojection, which for a volume of size 256(3) takes up to 25 min on a standard system. Recent developments in the area of Graphic Processing Units (GPUs) make it possible to have access to high-performance computing solutions at a low cost, allowing their use in many scientific problems. We have implemented an algorithm for 3D reconstruction of CBCT data using the Compute Unified Device Architecture (CUDA) provided by NVIDIA (NVIDIA Corporation, Santa Clara, California), which was executed on a NVIDIA GeForce GTX 280. Our implementation results in improved reconstruction times from minutes, and perhaps hours, to a matter of seconds, while also giving the clinician the ability to view 3D volumetric data at higher resolutions. We evaluated our implementation on ten clinical data sets and one phantom data set to observe if differences occur between CPU and GPU-based reconstructions. By using our approach, the computation time for 256(3) is reduced from 25 min on the CPU to 3.2 s on the GPU. The GPU reconstruction time for 512(3) volumes is 8.5 s. Copyright 2009 Elsevier Ireland Ltd. All rights reserved.

Collaborating CPU and GPU for large-scale high-order CFD simulations with complex grids on the TianHe-1A supercomputer

NASA Astrophysics Data System (ADS)

Xu, Chuanfu; Deng, Xiaogang; Zhang, Lilun; Fang, Jianbin; Wang, Guangxue; Jiang, Yi; Cao, Wei; Che, Yonggang; Wang, Yongxian; Wang, Zhenghua; Liu, Wei; Cheng, Xinghua

2014-12-01

Programming and optimizing complex, real-world CFD codes on current many-core accelerated HPC systems is very challenging, especially when collaborating CPUs and accelerators to fully tap the potential of heterogeneous systems. In this paper, with a tri-level hybrid and heterogeneous programming model using MPI + OpenMP + CUDA, we port and optimize our high-order multi-block structured CFD software HOSTA on the GPU-accelerated TianHe-1A supercomputer. HOSTA adopts two self-developed high-order compact definite difference schemes WCNS and HDCS that can simulate flows with complex geometries. We present a dual-level parallelization scheme for efficient multi-block computation on GPUs and perform particular kernel optimizations for high-order CFD schemes. The GPU-only approach achieves a speedup of about 1.3 when comparing one Tesla M2050 GPU with two Xeon X5670 CPUs. To achieve a greater speedup, we collaborate CPU and GPU for HOSTA instead of using a naive GPU-only approach. We present a novel scheme to balance the loads between the store-poor GPU and the store-rich CPU. Taking CPU and GPU load balance into account, we improve the maximum simulation problem size per TianHe-1A node for HOSTA by 2.3×, meanwhile the collaborative approach can improve the performance by around 45% compared to the GPU-only approach. Further, to scale HOSTA on TianHe-1A, we propose a gather/scatter optimization to minimize PCI-e data transfer times for ghost and singularity data of 3D grid blocks, and overlap the collaborative computation and communication as far as possible using some advanced CUDA and MPI features. Scalability tests show that HOSTA can achieve a parallel efficiency of above 60% on 1024 TianHe-1A nodes. With our method, we have successfully simulated an EET high-lift airfoil configuration containing 800M cells and China's large civil airplane configuration containing 150M cells. To our best knowledge, those are the largest-scale CPU-GPU collaborative simulations that solve realistic CFD problems with both complex configurations and high-order schemes.

Collaborating CPU and GPU for large-scale high-order CFD simulations with complex grids on the TianHe-1A supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Chuanfu, E-mail: xuchuanfu@nudt.edu.cn; Deng, Xiaogang; Zhang, Lilun

Programming and optimizing complex, real-world CFD codes on current many-core accelerated HPC systems is very challenging, especially when collaborating CPUs and accelerators to fully tap the potential of heterogeneous systems. In this paper, with a tri-level hybrid and heterogeneous programming model using MPI + OpenMP + CUDA, we port and optimize our high-order multi-block structured CFD software HOSTA on the GPU-accelerated TianHe-1A supercomputer. HOSTA adopts two self-developed high-order compact definite difference schemes WCNS and HDCS that can simulate flows with complex geometries. We present a dual-level parallelization scheme for efficient multi-block computation on GPUs and perform particular kernel optimizations formore » high-order CFD schemes. The GPU-only approach achieves a speedup of about 1.3 when comparing one Tesla M2050 GPU with two Xeon X5670 CPUs. To achieve a greater speedup, we collaborate CPU and GPU for HOSTA instead of using a naive GPU-only approach. We present a novel scheme to balance the loads between the store-poor GPU and the store-rich CPU. Taking CPU and GPU load balance into account, we improve the maximum simulation problem size per TianHe-1A node for HOSTA by 2.3×, meanwhile the collaborative approach can improve the performance by around 45% compared to the GPU-only approach. Further, to scale HOSTA on TianHe-1A, we propose a gather/scatter optimization to minimize PCI-e data transfer times for ghost and singularity data of 3D grid blocks, and overlap the collaborative computation and communication as far as possible using some advanced CUDA and MPI features. Scalability tests show that HOSTA can achieve a parallel efficiency of above 60% on 1024 TianHe-1A nodes. With our method, we have successfully simulated an EET high-lift airfoil configuration containing 800M cells and China's large civil airplane configuration containing 150M cells. To our best knowledge, those are the largest-scale CPU–GPU collaborative simulations that solve realistic CFD problems with both complex configurations and high-order schemes.« less

Parallel Computer System for 3D Visualization Stereo on GPU

NASA Astrophysics Data System (ADS)

Al-Oraiqat, Anas M.; Zori, Sergii A.

2018-03-01

This paper proposes the organization of a parallel computer system based on Graphic Processors Unit (GPU) for 3D stereo image synthesis. The development is based on the modified ray tracing method developed by the authors for fast search of tracing rays intersections with scene objects. The system allows significant increase in the productivity for the 3D stereo synthesis of photorealistic quality. The generalized procedure of 3D stereo image synthesis on the Graphics Processing Unit/Graphics Processing Clusters (GPU/GPC) is proposed. The efficiency of the proposed solutions by GPU implementation is compared with single-threaded and multithreaded implementations on the CPU. The achieved average acceleration in multi-thread implementation on the test GPU and CPU is about 7.5 and 1.6 times, respectively. Studying the influence of choosing the size and configuration of the computational Compute Unified Device Archi-tecture (CUDA) network on the computational speed shows the importance of their correct selection. The obtained experimental estimations can be significantly improved by new GPUs with a large number of processing cores and multiprocessors, as well as optimized configuration of the computing CUDA network.

GPU-accelerated FDTD modeling of radio-frequency field-tissue interactions in high-field MRI.

PubMed

Chi, Jieru; Liu, Feng; Weber, Ewald; Li, Yu; Crozier, Stuart

2011-06-01

The analysis of high-field RF field-tissue interactions requires high-performance finite-difference time-domain (FDTD) computing. Conventional CPU-based FDTD calculations offer limited computing performance in a PC environment. This study presents a graphics processing unit (GPU)-based parallel-computing framework, producing substantially boosted computing efficiency (with a two-order speedup factor) at a PC-level cost. Specific details of implementing the FDTD method on a GPU architecture have been presented and the new computational strategy has been successfully applied to the design of a novel 8-element transceive RF coil system at 9.4 T. Facilitated by the powerful GPU-FDTD computing, the new RF coil array offers optimized fields (averaging 25% improvement in sensitivity, and 20% reduction in loop coupling compared with conventional array structures of the same size) for small animal imaging with a robust RF configuration. The GPU-enabled acceleration paves the way for FDTD to be applied for both detailed forward modeling and inverse design of MRI coils, which were previously impractical.

GPU-Q-J, a fast method for calculating root mean square deviation (RMSD) after optimal superposition

PubMed Central

2011-01-01

Background Calculation of the root mean square deviation (RMSD) between the atomic coordinates of two optimally superposed structures is a basic component of structural comparison techniques. We describe a quaternion based method, GPU-Q-J, that is stable with single precision calculations and suitable for graphics processor units (GPUs). The application was implemented on an ATI 4770 graphics card in C/C++ and Brook+ in Linux where it was 260 to 760 times faster than existing unoptimized CPU methods. Source code is available from the Compbio website http://software.compbio.washington.edu/misc/downloads/st_gpu_fit/ or from the author LHH. Findings The Nutritious Rice for the World Project (NRW) on World Community Grid predicted de novo, the structures of over 62,000 small proteins and protein domains returning a total of 10 billion candidate structures. Clustering ensembles of structures on this scale requires calculation of large similarity matrices consisting of RMSDs between each pair of structures in the set. As a real-world test, we calculated the matrices for 6 different ensembles from NRW. The GPU method was 260 times faster that the fastest existing CPU based method and over 500 times faster than the method that had been previously used. Conclusions GPU-Q-J is a significant advance over previous CPU methods. It relieves a major bottleneck in the clustering of large numbers of structures for NRW. It also has applications in structure comparison methods that involve multiple superposition and RMSD determination steps, particularly when such methods are applied on a proteome and genome wide scale. PMID:21453553

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential.

PubMed

Chen, Wenduo; Zhu, Youliang; Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

2016-01-01

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures.

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

PubMed Central

Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

2016-01-01

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures. PMID:26986851

cudaMap: a GPU accelerated program for gene expression connectivity mapping

PubMed Central

2013-01-01

Background Modern cancer research often involves large datasets and the use of sophisticated statistical techniques. Together these add a heavy computational load to the analysis, which is often coupled with issues surrounding data accessibility. Connectivity mapping is an advanced bioinformatic and computational technique dedicated to therapeutics discovery and drug re-purposing around differential gene expression analysis. On a normal desktop PC, it is common for the connectivity mapping task with a single gene signature to take > 2h to complete using sscMap, a popular Java application that runs on standard CPUs (Central Processing Units). Here, we describe new software, cudaMap, which has been implemented using CUDA C/C++ to harness the computational power of NVIDIA GPUs (Graphics Processing Units) to greatly reduce processing times for connectivity mapping. Results cudaMap can identify candidate therapeutics from the same signature in just over thirty seconds when using an NVIDIA Tesla C2050 GPU. Results from the analysis of multiple gene signatures, which would previously have taken several days, can now be obtained in as little as 10 minutes, greatly facilitating candidate therapeutics discovery with high throughput. We are able to demonstrate dramatic speed differentials between GPU assisted performance and CPU executions as the computational load increases for high accuracy evaluation of statistical significance. Conclusion Emerging ‘omics’ technologies are constantly increasing the volume of data and information to be processed in all areas of biomedical research. Embracing the multicore functionality of GPUs represents a major avenue of local accelerated computing. cudaMap will make a strong contribution in the discovery of candidate therapeutics by enabling speedy execution of heavy duty connectivity mapping tasks, which are increasingly required in modern cancer research. cudaMap is open source and can be freely downloaded from http://purl.oclc.org/NET/cudaMap. PMID:24112435

Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals.

PubMed

Kazachenko, Sergey; Giovinazzo, Mark; Hall, Kyle Wm; Cann, Natalie M

2015-09-15

A custom code for molecular dynamics simulations has been designed to run on CUDA-enabled NVIDIA graphics processing units (GPUs). The double-precision code simulates multicomponent fluids, with intramolecular and intermolecular forces, coarse-grained and atomistic models, holonomic constraints, Nosé-Hoover thermostats, and the generation of distribution functions. Algorithms to compute Lennard-Jones and Gay-Berne interactions, and the electrostatic force using Ewald summations, are discussed. A neighbor list is introduced to improve scaling with respect to system size. Three test systems are examined: SPC/E water; an n-hexane/2-propanol mixture; and a liquid crystal mesogen, 2-(4-butyloxyphenyl)-5-octyloxypyrimidine. Code performance is analyzed for each system. With one GPU, a 33-119 fold increase in performance is achieved compared with the serial code while the use of two GPUs leads to a 69-287 fold improvement and three GPUs yield a 101-377 fold speedup. © 2015 Wiley Periodicals, Inc.

Robust and fast nonlinear optimization of diffusion MRI microstructure models.

PubMed

Harms, R L; Fritz, F J; Tobisch, A; Goebel, R; Roebroeck, A

2017-07-15

Advances in biophysical multi-compartment modeling for diffusion MRI (dMRI) have gained popularity because of greater specificity than DTI in relating the dMRI signal to underlying cellular microstructure. A large range of these diffusion microstructure models have been developed and each of the popular models comes with its own, often different, optimization algorithm, noise model and initialization strategy to estimate its parameter maps. Since data fit, accuracy and precision is hard to verify, this creates additional challenges to comparability and generalization of results from diffusion microstructure models. In addition, non-linear optimization is computationally expensive leading to very long run times, which can be prohibitive in large group or population studies. In this technical note we investigate the performance of several optimization algorithms and initialization strategies over a few of the most popular diffusion microstructure models, including NODDI and CHARMED. We evaluate whether a single well performing optimization approach exists that could be applied to many models and would equate both run time and fit aspects. All models, algorithms and strategies were implemented on the Graphics Processing Unit (GPU) to remove run time constraints, with which we achieve whole brain dataset fits in seconds to minutes. We then evaluated fit, accuracy, precision and run time for different models of differing complexity against three common optimization algorithms and three parameter initialization strategies. Variability of the achieved quality of fit in actual data was evaluated on ten subjects of each of two population studies with a different acquisition protocol. We find that optimization algorithms and multi-step optimization approaches have a considerable influence on performance and stability over subjects and over acquisition protocols. The gradient-free Powell conjugate-direction algorithm was found to outperform other common algorithms in terms of run time, fit, accuracy and precision. Parameter initialization approaches were found to be relevant especially for more complex models, such as those involving several fiber orientations per voxel. For these, a fitting cascade initializing or fixing parameter values in a later optimization step from simpler models in an earlier optimization step further improved run time, fit, accuracy and precision compared to a single step fit. This establishes and makes available standards by which robust fit and accuracy can be achieved in shorter run times. This is especially relevant for the use of diffusion microstructure modeling in large group or population studies and in combining microstructure parameter maps with tractography results. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Massively parallel simulator of optical coherence tomography of inhomogeneous turbid media.

PubMed

Malektaji, Siavash; Lima, Ivan T; Escobar I, Mauricio R; Sherif, Sherif S

2017-10-01

An accurate and practical simulator for Optical Coherence Tomography (OCT) could be an important tool to study the underlying physical phenomena in OCT such as multiple light scattering. Recently, many researchers have investigated simulation of OCT of turbid media, e.g., tissue, using Monte Carlo methods. The main drawback of these earlier simulators is the long computational time required to produce accurate results. We developed a massively parallel simulator of OCT of inhomogeneous turbid media that obtains both Class I diffusive reflectivity, due to ballistic and quasi-ballistic scattered photons, and Class II diffusive reflectivity due to multiply scattered photons. This Monte Carlo-based simulator is implemented on graphic processing units (GPUs), using the Compute Unified Device Architecture (CUDA) platform and programming model, to exploit the parallel nature of propagation of photons in tissue. It models an arbitrary shaped sample medium as a tetrahedron-based mesh and uses an advanced importance sampling scheme. This new simulator speeds up simulations of OCT of inhomogeneous turbid media by about two orders of magnitude. To demonstrate this result, we have compared the computation times of our new parallel simulator and its serial counterpart using two samples of inhomogeneous turbid media. We have shown that our parallel implementation reduced simulation time of OCT of the first sample medium from 407 min to 92 min by using a single GPU card, to 12 min by using 8 GPU cards and to 7 min by using 16 GPU cards. For the second sample medium, the OCT simulation time was reduced from 209 h to 35.6 h by using a single GPU card, and to 4.65 h by using 8 GPU cards, and to only 2 h by using 16 GPU cards. Therefore our new parallel simulator is considerably more practical to use than its central processing unit (CPU)-based counterpart. Our new parallel OCT simulator could be a practical tool to study the different physical phenomena underlying OCT, or to design OCT systems with improved performance. Copyright © 2017 Elsevier B.V. All rights reserved.

Event- and Time-Driven Techniques Using Parallel CPU-GPU Co-processing for Spiking Neural Networks

PubMed Central

Naveros, Francisco; Garrido, Jesus A.; Carrillo, Richard R.; Ros, Eduardo; Luque, Niceto R.

2017-01-01

Modeling and simulating the neural structures which make up our central neural system is instrumental for deciphering the computational neural cues beneath. Higher levels of biological plausibility usually impose higher levels of complexity in mathematical modeling, from neural to behavioral levels. This paper focuses on overcoming the simulation problems (accuracy and performance) derived from using higher levels of mathematical complexity at a neural level. This study proposes different techniques for simulating neural models that hold incremental levels of mathematical complexity: leaky integrate-and-fire (LIF), adaptive exponential integrate-and-fire (AdEx), and Hodgkin-Huxley (HH) neural models (ranged from low to high neural complexity). The studied techniques are classified into two main families depending on how the neural-model dynamic evaluation is computed: the event-driven or the time-driven families. Whilst event-driven techniques pre-compile and store the neural dynamics within look-up tables, time-driven techniques compute the neural dynamics iteratively during the simulation time. We propose two modifications for the event-driven family: a look-up table recombination to better cope with the incremental neural complexity together with a better handling of the synchronous input activity. Regarding the time-driven family, we propose a modification in computing the neural dynamics: the bi-fixed-step integration method. This method automatically adjusts the simulation step size to better cope with the stiffness of the neural model dynamics running in CPU platforms. One version of this method is also implemented for hybrid CPU-GPU platforms. Finally, we analyze how the performance and accuracy of these modifications evolve with increasing levels of neural complexity. We also demonstrate how the proposed modifications which constitute the main contribution of this study systematically outperform the traditional event- and time-driven techniques under increasing levels of neural complexity. PMID:28223930

Leveraging FPGAs for Accelerating Short Read Alignment.

PubMed

Arram, James; Kaplan, Thomas; Luk, Wayne; Jiang, Peiyong

2017-01-01

One of the key challenges facing genomics today is how to efficiently analyze the massive amounts of data produced by next-generation sequencing platforms. With general-purpose computing systems struggling to address this challenge, specialized processors such as the Field-Programmable Gate Array (FPGA) are receiving growing interest. The means by which to leverage this technology for accelerating genomic data analysis is however largely unexplored. In this paper, we present a runtime reconfigurable architecture for accelerating short read alignment using FPGAs. This architecture exploits the reconfigurability of FPGAs to allow the development of fast yet flexible alignment designs. We apply this architecture to develop an alignment design which supports exact and approximate alignment with up to two mismatches. Our design is based on the FM-index, with optimizations to improve the alignment performance. In particular, the n-step FM-index, index oversampling, a seed-and-compare stage, and bi-directional backtracking are included. Our design is implemented and evaluated on a 1U Maxeler MPC-X2000 dataflow node with eight Altera Stratix-V FPGAs. Measurements show that our design is 28 times faster than Bowtie2 running with 16 threads on dual Intel Xeon E5-2640 CPUs, and nine times faster than Soap3-dp running on an NVIDIA Tesla C2070 GPU.

Particle In Cell Codes on Highly Parallel Architectures

NASA Astrophysics Data System (ADS)

Tableman, Adam

2014-10-01

We describe strategies and examples of Particle-In-Cell Codes running on Nvidia GPU and Intel Phi architectures. This includes basic implementations in skeletons codes and full-scale development versions (encompassing 1D, 2D, and 3D codes) in Osiris. Both the similarities and differences between Intel's and Nvidia's hardware will be examined. Work supported by grants NSF ACI 1339893, DOE DE SC 000849, DOE DE SC 0008316, DOE DE NA 0001833, and DOE DE FC02 04ER 54780.

Multi-GPU and multi-CPU accelerated FDTD scheme for vibroacoustic applications

NASA Astrophysics Data System (ADS)

Francés, J.; Otero, B.; Bleda, S.; Gallego, S.; Neipp, C.; Márquez, A.; Beléndez, A.

2015-06-01

The Finite-Difference Time-Domain (FDTD) method is applied to the analysis of vibroacoustic problems and to study the propagation of longitudinal and transversal waves in a stratified media. The potential of the scheme and the relevance of each acceleration strategy for massively computations in FDTD are demonstrated in this work. In this paper, we propose two new specific implementations of the bi-dimensional scheme of the FDTD method using multi-CPU and multi-GPU, respectively. In the first implementation, an open source message passing interface (OMPI) has been included in order to massively exploit the resources of a biprocessor station with two Intel Xeon processors. Moreover, regarding CPU code version, the streaming SIMD extensions (SSE) and also the advanced vectorial extensions (AVX) have been included with shared memory approaches that take advantage of the multi-core platforms. On the other hand, the second implementation called the multi-GPU code version is based on Peer-to-Peer communications available in CUDA on two GPUs (NVIDIA GTX 670). Subsequently, this paper presents an accurate analysis of the influence of the different code versions including shared memory approaches, vector instructions and multi-processors (both CPU and GPU) and compares them in order to delimit the degree of improvement of using distributed solutions based on multi-CPU and multi-GPU. The performance of both approaches was analysed and it has been demonstrated that the addition of shared memory schemes to CPU computing improves substantially the performance of vector instructions enlarging the simulation sizes that use efficiently the cache memory of CPUs. In this case GPU computing is slightly twice times faster than the fine tuned CPU version in both cases one and two nodes. However, for massively computations explicit vector instructions do not worth it since the memory bandwidth is the limiting factor and the performance tends to be the same than the sequential version with auto-vectorisation and also shared memory approach. In this scenario GPU computing is the best option since it provides a homogeneous behaviour. More specifically, the speedup of GPU computing achieves an upper limit of 12 for both one and two GPUs, whereas the performance reaches peak values of 80 GFlops and 146 GFlops for the performance for one GPU and two GPUs respectively. Finally, the method is applied to an earth crust profile in order to demonstrate the potential of our approach and the necessity of applying acceleration strategies in these type of applications.

Graphics Processing Units for HEP trigger systems

NASA Astrophysics Data System (ADS)

Ammendola, R.; Bauce, M.; Biagioni, A.; Chiozzi, S.; Cotta Ramusino, A.; Fantechi, R.; Fiorini, M.; Giagu, S.; Gianoli, A.; Lamanna, G.; Lonardo, A.; Messina, A.; Neri, I.; Paolucci, P. S.; Piandani, R.; Pontisso, L.; Rescigno, M.; Simula, F.; Sozzi, M.; Vicini, P.

2016-07-01

General-purpose computing on GPUs (Graphics Processing Units) is emerging as a new paradigm in several fields of science, although so far applications have been tailored to the specific strengths of such devices as accelerator in offline computation. With the steady reduction of GPU latencies, and the increase in link and memory throughput, the use of such devices for real-time applications in high-energy physics data acquisition and trigger systems is becoming ripe. We will discuss the use of online parallel computing on GPU for synchronous low level trigger, focusing on CERN NA62 experiment trigger system. The use of GPU in higher level trigger system is also briefly considered.

Evaluating Multi-core Architectures through Accelerating the Three-Dimensional Lax–Wendroff Correction

DOE Office of Scientific and Technical Information (OSTI.GOV)

You, Yang; Fu, Haohuan; Song, Shuaiwen

2014-07-18

Wave propagation forward modeling is a widely used computational method in oil and gas exploration. The iterative stencil loops in such problems have broad applications in scientific computing. However, executing such loops can be highly time time-consuming, which greatly limits application’s performance and power efficiency. In this paper, we accelerate the forward modeling technique on the latest multi-core and many-core architectures such as Intel Sandy Bridge CPUs, NVIDIA Fermi C2070 GPU, NVIDIA Kepler K20x GPU, and the Intel Xeon Phi Co-processor. For the GPU platforms, we propose two parallel strategies to explore the performance optimization opportunities for our stencil kernels.more » For Sandy Bridge CPUs and MIC, we also employ various optimization techniques in order to achieve the best.« less

Real-time simulation of a spiking neural network model of the basal ganglia circuitry using general purpose computing on graphics processing units.

PubMed

Igarashi, Jun; Shouno, Osamu; Fukai, Tomoki; Tsujino, Hiroshi

2011-11-01

Real-time simulation of a biologically realistic spiking neural network is necessary for evaluation of its capacity to interact with real environments. However, the real-time simulation of such a neural network is difficult due to its high computational costs that arise from two factors: (1) vast network size and (2) the complicated dynamics of biologically realistic neurons. In order to address these problems, mainly the latter, we chose to use general purpose computing on graphics processing units (GPGPUs) for simulation of such a neural network, taking advantage of the powerful computational capability of a graphics processing unit (GPU). As a target for real-time simulation, we used a model of the basal ganglia that has been developed according to electrophysiological and anatomical knowledge. The model consists of heterogeneous populations of 370 spiking model neurons, including computationally heavy conductance-based models, connected by 11,002 synapses. Simulation of the model has not yet been performed in real-time using a general computing server. By parallelization of the model on the NVIDIA Geforce GTX 280 GPU in data-parallel and task-parallel fashion, faster-than-real-time simulation was robustly realized with only one-third of the GPU's total computational resources. Furthermore, we used the GPU's full computational resources to perform faster-than-real-time simulation of three instances of the basal ganglia model; these instances consisted of 1100 neurons and 33,006 synapses and were synchronized at each calculation step. Finally, we developed software for simultaneous visualization of faster-than-real-time simulation output. These results suggest the potential power of GPGPU techniques in real-time simulation of realistic neural networks. Copyright © 2011 Elsevier Ltd. All rights reserved.

Problems Related to Parallelization of CFD Algorithms on GPU, Multi-GPU and Hybrid Architectures

NASA Astrophysics Data System (ADS)

Biazewicz, Marek; Kurowski, Krzysztof; Ludwiczak, Bogdan; Napieraia, Krystyna

2010-09-01

Computational Fluid Dynamics (CFD) is one of the branches of fluid mechanics, which uses numerical methods and algorithms to solve and analyze fluid flows. CFD is used in various domains, such as oil and gas reservoir uncertainty analysis, aerodynamic body shapes optimization (e.g. planes, cars, ships, sport helmets, skis), natural phenomena analysis, numerical simulation for weather forecasting or realistic visualizations. CFD problem is very complex and needs a lot of computational power to obtain the results in a reasonable time. We have implemented a parallel application for two-dimensional CFD simulation with a free surface approximation (MAC method) using new hardware architectures, in particular multi-GPU and hybrid computing environments. For this purpose we decided to use NVIDIA graphic cards with CUDA environment due to its simplicity of programming and good computations performance. We used finite difference discretization of Navier-Stokes equations, where fluid is propagated over an Eulerian Grid. In this model, the behavior of the fluid inside the cell depends only on the properties of local, surrounding cells, therefore it is well suited for the GPU-based architecture. In this paper we demonstrate how to use efficiently the computing power of GPUs for CFD. Additionally, we present some best practices to help users analyze and improve the performance of CFD applications executed on GPU. Finally, we discuss various challenges around the multi-GPU implementation on the example of matrix multiplication.

Higher-order ice-sheet modelling accelerated by multigrid on graphics cards

NASA Astrophysics Data System (ADS)

Brædstrup, Christian; Egholm, David

2013-04-01

Higher-order ice flow modelling is a very computer intensive process owing primarily to the nonlinear influence of the horizontal stress coupling. When applied for simulating long-term glacial landscape evolution, the ice-sheet models must consider very long time series, while both high temporal and spatial resolution is needed to resolve small effects. The use of higher-order and full stokes models have therefore seen very limited usage in this field. However, recent advances in graphics card (GPU) technology for high performance computing have proven extremely efficient in accelerating many large-scale scientific computations. The general purpose GPU (GPGPU) technology is cheap, has a low power consumption and fits into a normal desktop computer. It could therefore provide a powerful tool for many glaciologists working on ice flow models. Our current research focuses on utilising the GPU as a tool in ice-sheet and glacier modelling. To this extent we have implemented the Integrated Second-Order Shallow Ice Approximation (iSOSIA) equations on the device using the finite difference method. To accelerate the computations, the GPU solver uses a non-linear Red-Black Gauss-Seidel iterator coupled with a Full Approximation Scheme (FAS) multigrid setup to further aid convergence. The GPU finite difference implementation provides the inherent parallelization that scales from hundreds to several thousands of cores on newer cards. We demonstrate the efficiency of the GPU multigrid solver using benchmark experiments.

Towards energy-efficient nonoscillatory forward-in-time integrations on lat-lon grids

NASA Astrophysics Data System (ADS)

Polkowski, Marcin; Piotrowski, Zbigniew; Ryczkowski, Adam

2017-04-01

The design of the next-generation weather prediction models calls for new algorithmic approaches allowing for robust integrations of atmospheric flow over complex orography at sub-km resolutions. These need to be accompanied by efficient implementations exposing multi-level parallelism, capable to run on modern supercomputing architectures. Here we present the recent advances in the energy-efficient implementation of the consistent soundproof/implicit compressible EULAG dynamical core of the COSMO weather prediction framework. Based on the experiences of the atmospheric dwarfs developed within H2020 ESCAPE project, we develop efficient, architecture agnostic implementations of fully three-dimensional MPDATA advection schemes and generalized diffusion operator in curvilinear coordinates and spherical geometry. We compare optimized Fortran implementation with preliminary C++ implementation employing the Gridtools library, allowing for integrations on CPU and GPU while maintaining single source code.

NRMC - A GPU code for N-Reverse Monte Carlo modeling of fluids in confined media

NASA Astrophysics Data System (ADS)

Sánchez-Gil, Vicente; Noya, Eva G.; Lomba, Enrique

2017-08-01

NRMC is a parallel code for performing N-Reverse Monte Carlo modeling of fluids in confined media [V. Sánchez-Gil, E.G. Noya, E. Lomba, J. Chem. Phys. 140 (2014) 024504]. This method is an extension of the usual Reverse Monte Carlo method to obtain structural models of confined fluids compatible with experimental diffraction patterns, specifically designed to overcome the problem of slow diffusion that can appear under conditions of tight confinement. Most of the computational time in N-Reverse Monte Carlo modeling is spent in the evaluation of the structure factor for each trial configuration, a calculation that can be easily parallelized. Implementation of the structure factor evaluation in NVIDIA® CUDA so that the code can be run on GPUs leads to a speed up of up to two orders of magnitude.

Performance analysis of the FDTD method applied to holographic volume gratings: Multi-core CPU versus GPU computing

NASA Astrophysics Data System (ADS)

Francés, J.; Bleda, S.; Neipp, C.; Márquez, A.; Pascual, I.; Beléndez, A.

2013-03-01

The finite-difference time-domain method (FDTD) allows electromagnetic field distribution analysis as a function of time and space. The method is applied to analyze holographic volume gratings (HVGs) for the near-field distribution at optical wavelengths. Usually, this application requires the simulation of wide areas, which implies more memory and time processing. In this work, we propose a specific implementation of the FDTD method including several add-ons for a precise simulation of optical diffractive elements. Values in the near-field region are computed considering the illumination of the grating by means of a plane wave for different angles of incidence and including absorbing boundaries as well. We compare the results obtained by FDTD with those obtained using a matrix method (MM) applied to diffraction gratings. In addition, we have developed two optimized versions of the algorithm, for both CPU and GPU, in order to analyze the improvement of using the new NVIDIA Fermi GPU architecture versus highly tuned multi-core CPU as a function of the size simulation. In particular, the optimized CPU implementation takes advantage of the arithmetic and data transfer streaming SIMD (single instruction multiple data) extensions (SSE) included explicitly in the code and also of multi-threading by means of OpenMP directives. A good agreement between the results obtained using both FDTD and MM methods is obtained, thus validating our methodology. Moreover, the performance of the GPU is compared to the SSE+OpenMP CPU implementation, and it is quantitatively determined that a highly optimized CPU program can be competitive for a wider range of simulation sizes, whereas GPU computing becomes more powerful for large-scale simulations.

Specialized Computer Systems for Environment Visualization

NASA Astrophysics Data System (ADS)

Al-Oraiqat, Anas M.; Bashkov, Evgeniy A.; Zori, Sergii A.

2018-06-01

The need for real time image generation of landscapes arises in various fields as part of tasks solved by virtual and augmented reality systems, as well as geographic information systems. Such systems provide opportunities for collecting, storing, analyzing and graphically visualizing geographic data. Algorithmic and hardware software tools for increasing the realism and efficiency of the environment visualization in 3D visualization systems are proposed. This paper discusses a modified path tracing algorithm with a two-level hierarchy of bounding volumes and finding intersections with Axis-Aligned Bounding Box. The proposed algorithm eliminates the branching and hence makes the algorithm more suitable to be implemented on the multi-threaded CPU and GPU. A modified ROAM algorithm is used to solve the qualitative visualization of reliefs' problems and landscapes. The algorithm is implemented on parallel systems—cluster and Compute Unified Device Architecture-networks. Results show that the implementation on MPI clusters is more efficient than Graphics Processing Unit/Graphics Processing Clusters and allows real-time synthesis. The organization and algorithms of the parallel GPU system for the 3D pseudo stereo image/video synthesis are proposed. With realizing possibility analysis on a parallel GPU-architecture of each stage, 3D pseudo stereo synthesis is performed. An experimental prototype of a specialized hardware-software system 3D pseudo stereo imaging and video was developed on the CPU/GPU. The experimental results show that the proposed adaptation of 3D pseudo stereo imaging to the architecture of GPU-systems is efficient. Also it accelerates the computational procedures of 3D pseudo-stereo synthesis for the anaglyph and anamorphic formats of the 3D stereo frame without performing optimization procedures. The acceleration is on average 11 and 54 times for test GPUs.

GPU-based fast cone beam CT reconstruction from undersampled and noisy projection data via total variation.

PubMed

Jia, Xun; Lou, Yifei; Li, Ruijiang; Song, William Y; Jiang, Steve B

2010-04-01

Cone-beam CT (CBCT) plays an important role in image guided radiation therapy (IGRT). However, the large radiation dose from serial CBCT scans in most IGRT procedures raises a clinical concern, especially for pediatric patients who are essentially excluded from receiving IGRT for this reason. The goal of this work is to develop a fast GPU-based algorithm to reconstruct CBCT from undersampled and noisy projection data so as to lower the imaging dose. The CBCT is reconstructed by minimizing an energy functional consisting of a data fidelity term and a total variation regularization term. The authors developed a GPU-friendly version of the forward-backward splitting algorithm to solve this model. A multigrid technique is also employed. It is found that 20-40 x-ray projections are sufficient to reconstruct images with satisfactory quality for IGRT. The reconstruction time ranges from 77 to 130 s on an NVIDIA Tesla C1060 (NVIDIA, Santa Clara, CA) GPU card, depending on the number of projections used, which is estimated about 100 times faster than similar iterative reconstruction approaches. Moreover, phantom studies indicate that the algorithm enables the CBCT to be reconstructed under a scanning protocol with as low as 0.1 mA s/projection. Comparing with currently widely used full-fan head and neck scanning protocol of approximately 360 projections with 0.4 mA s/projection, it is estimated that an overall 36-72 times dose reduction has been achieved in our fast CBCT reconstruction algorithm. This work indicates that the developed GPU-based CBCT reconstruction algorithm is capable of lowering imaging dose considerably. The high computation efficiency in this algorithm makes the iterative CBCT reconstruction approach applicable in real clinical environments.

A multi-GPU real-time dose simulation software framework for lung radiotherapy.

PubMed

Santhanam, A P; Min, Y; Neelakkantan, H; Papp, N; Meeks, S L; Kupelian, P A

2012-09-01

Medical simulation frameworks facilitate both the preoperative and postoperative analysis of the patient's pathophysical condition. Of particular importance is the simulation of radiation dose delivery for real-time radiotherapy monitoring and retrospective analyses of the patient's treatment. In this paper, a software framework tailored for the development of simulation-based real-time radiation dose monitoring medical applications is discussed. A multi-GPU-based computational framework coupled with inter-process communication methods is introduced for simulating the radiation dose delivery on a deformable 3D volumetric lung model and its real-time visualization. The model deformation and the corresponding dose calculation are allocated among the GPUs in a task-specific manner and is performed in a pipelined manner. Radiation dose calculations are computed on two different GPU hardware architectures. The integration of this computational framework with a front-end software layer and back-end patient database repository is also discussed. Real-time simulation of the dose delivered is achieved at once every 120 ms using the proposed framework. With a linear increase in the number of GPU cores, the computational time of the simulation was linearly decreased. The inter-process communication time also improved with an increase in the hardware memory. Variations in the delivered dose and computational speedup for variations in the data dimensions are investigated using D70 and D90 as well as gEUD as metrics for a set of 14 patients. Computational speed-up increased with an increase in the beam dimensions when compared with a CPU-based commercial software while the error in the dose calculation was <1%. Our analyses show that the framework applied to deformable lung model-based radiotherapy is an effective tool for performing both real-time and retrospective analyses.

Accelerated event-by-event Monte Carlo microdosimetric calculations of electrons and protons tracks on a multi-core CPU and a CUDA-enabled GPU.

PubMed

Kalantzis, Georgios; Tachibana, Hidenobu

2014-01-01

For microdosimetric calculations event-by-event Monte Carlo (MC) methods are considered the most accurate. The main shortcoming of those methods is the extensive requirement for computational time. In this work we present an event-by-event MC code of low projectile energy electron and proton tracks for accelerated microdosimetric MC simulations on a graphic processing unit (GPU). Additionally, a hybrid implementation scheme was realized by employing OpenMP and CUDA in such a way that both GPU and multi-core CPU were utilized simultaneously. The two implementation schemes have been tested and compared with the sequential single threaded MC code on the CPU. Performance comparison was established on the speed-up for a set of benchmarking cases of electron and proton tracks. A maximum speedup of 67.2 was achieved for the GPU-based MC code, while a further improvement of the speedup up to 20% was achieved for the hybrid approach. The results indicate the capability of our CPU-GPU implementation for accelerated MC microdosimetric calculations of both electron and proton tracks without loss of accuracy. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Multi-GPU maximum entropy image synthesis for radio astronomy

NASA Astrophysics Data System (ADS)

Cárcamo, M.; Román, P. E.; Casassus, S.; Moral, V.; Rannou, F. R.

2018-01-01

The maximum entropy method (MEM) is a well known deconvolution technique in radio-interferometry. This method solves a non-linear optimization problem with an entropy regularization term. Other heuristics such as CLEAN are faster but highly user dependent. Nevertheless, MEM has the following advantages: it is unsupervised, it has a statistical basis, it has a better resolution and better image quality under certain conditions. This work presents a high performance GPU version of non-gridding MEM, which is tested using real and simulated data. We propose a single-GPU and a multi-GPU implementation for single and multi-spectral data, respectively. We also make use of the Peer-to-Peer and Unified Virtual Addressing features of newer GPUs which allows to exploit transparently and efficiently multiple GPUs. Several ALMA data sets are used to demonstrate the effectiveness in imaging and to evaluate GPU performance. The results show that a speedup from 1000 to 5000 times faster than a sequential version can be achieved, depending on data and image size. This allows to reconstruct the HD142527 CO(6-5) short baseline data set in 2.1 min, instead of 2.5 days that takes a sequential version on CPU.

GPU-accelerated computing for Lagrangian coherent structures of multi-body gravitational regimes

NASA Astrophysics Data System (ADS)

Lin, Mingpei; Xu, Ming; Fu, Xiaoyu

2017-04-01

Based on a well-established theoretical foundation, Lagrangian Coherent Structures (LCSs) have elicited widespread research on the intrinsic structures of dynamical systems in many fields, including the field of astrodynamics. Although the application of LCSs in dynamical problems seems straightforward theoretically, its associated computational cost is prohibitive. We propose a block decomposition algorithm developed on Compute Unified Device Architecture (CUDA) platform for the computation of the LCSs of multi-body gravitational regimes. In order to take advantage of GPU's outstanding computing properties, such as Shared Memory, Constant Memory, and Zero-Copy, the algorithm utilizes a block decomposition strategy to facilitate computation of finite-time Lyapunov exponent (FTLE) fields of arbitrary size and timespan. Simulation results demonstrate that this GPU-based algorithm can satisfy double-precision accuracy requirements and greatly decrease the time needed to calculate final results, increasing speed by approximately 13 times. Additionally, this algorithm can be generalized to various large-scale computing problems, such as particle filters, constellation design, and Monte-Carlo simulation.

GOTHIC: Gravitational oct-tree code accelerated by hierarchical time step controlling

NASA Astrophysics Data System (ADS)

Miki, Yohei; Umemura, Masayuki

2017-04-01

The tree method is a widely implemented algorithm for collisionless N-body simulations in astrophysics well suited for GPU(s). Adopting hierarchical time stepping can accelerate N-body simulations; however, it is infrequently implemented and its potential remains untested in GPU implementations. We have developed a Gravitational Oct-Tree code accelerated by HIerarchical time step Controlling named GOTHIC, which adopts both the tree method and the hierarchical time step. The code adopts some adaptive optimizations by monitoring the execution time of each function on-the-fly and minimizes the time-to-solution by balancing the measured time of multiple functions. Results of performance measurements with realistic particle distribution performed on NVIDIA Tesla M2090, K20X, and GeForce GTX TITAN X, which are representative GPUs of the Fermi, Kepler, and Maxwell generation of GPUs, show that the hierarchical time step achieves a speedup by a factor of around 3-5 times compared to the shared time step. The measured elapsed time per step of GOTHIC is 0.30 s or 0.44 s on GTX TITAN X when the particle distribution represents the Andromeda galaxy or the NFW sphere, respectively, with 224 = 16,777,216 particles. The averaged performance of the code corresponds to 10-30% of the theoretical single precision peak performance of the GPU.

High performance MRI simulations of motion on multi-GPU systems.

PubMed

Xanthis, Christos G; Venetis, Ioannis E; Aletras, Anthony H

2014-07-04

MRI physics simulators have been developed in the past for optimizing imaging protocols and for training purposes. However, these simulators have only addressed motion within a limited scope. The purpose of this study was the incorporation of realistic motion, such as cardiac motion, respiratory motion and flow, within MRI simulations in a high performance multi-GPU environment. Three different motion models were introduced in the Magnetic Resonance Imaging SIMULator (MRISIMUL) of this study: cardiac motion, respiratory motion and flow. Simulation of a simple Gradient Echo pulse sequence and a CINE pulse sequence on the corresponding anatomical model was performed. Myocardial tagging was also investigated. In pulse sequence design, software crushers were introduced to accommodate the long execution times in order to avoid spurious echoes formation. The displacement of the anatomical model isochromats was calculated within the Graphics Processing Unit (GPU) kernel for every timestep of the pulse sequence. Experiments that would allow simulation of custom anatomical and motion models were also performed. Last, simulations of motion with MRISIMUL on single-node and multi-node multi-GPU systems were examined. Gradient Echo and CINE images of the three motion models were produced and motion-related artifacts were demonstrated. The temporal evolution of the contractility of the heart was presented through the application of myocardial tagging. Better simulation performance and image quality were presented through the introduction of software crushers without the need to further increase the computational load and GPU resources. Last, MRISIMUL demonstrated an almost linear scalable performance with the increasing number of available GPU cards, in both single-node and multi-node multi-GPU computer systems. MRISIMUL is the first MR physics simulator to have implemented motion with a 3D large computational load on a single computer multi-GPU configuration. The incorporation of realistic motion models, such as cardiac motion, respiratory motion and flow may benefit the design and optimization of existing or new MR pulse sequences, protocols and algorithms, which examine motion related MR applications.

Democratic Population Decisions Result in Robust Policy-Gradient Learning: A Parametric Study with GPU Simulations

PubMed Central

Richmond, Paul; Buesing, Lars; Giugliano, Michele; Vasilaki, Eleni

2011-01-01

High performance computing on the Graphics Processing Unit (GPU) is an emerging field driven by the promise of high computational power at a low cost. However, GPU programming is a non-trivial task and moreover architectural limitations raise the question of whether investing effort in this direction may be worthwhile. In this work, we use GPU programming to simulate a two-layer network of Integrate-and-Fire neurons with varying degrees of recurrent connectivity and investigate its ability to learn a simplified navigation task using a policy-gradient learning rule stemming from Reinforcement Learning. The purpose of this paper is twofold. First, we want to support the use of GPUs in the field of Computational Neuroscience. Second, using GPU computing power, we investigate the conditions under which the said architecture and learning rule demonstrate best performance. Our work indicates that networks featuring strong Mexican-Hat-shaped recurrent connections in the top layer, where decision making is governed by the formation of a stable activity bump in the neural population (a “non-democratic” mechanism), achieve mediocre learning results at best. In absence of recurrent connections, where all neurons “vote” independently (“democratic”) for a decision via population vector readout, the task is generally learned better and more robustly. Our study would have been extremely difficult on a desktop computer without the use of GPU programming. We present the routines developed for this purpose and show that a speed improvement of 5x up to 42x is provided versus optimised Python code. The higher speed is achieved when we exploit the parallelism of the GPU in the search of learning parameters. This suggests that efficient GPU programming can significantly reduce the time needed for simulating networks of spiking neurons, particularly when multiple parameter configurations are investigated. PMID:21572529

GPU accelerated generation of digitally reconstructed radiographs for 2-D/3-D image registration.

PubMed

Dorgham, Osama M; Laycock, Stephen D; Fisher, Mark H

2012-09-01

Recent advances in programming languages for graphics processing units (GPUs) provide developers with a convenient way of implementing applications which can be executed on the CPU and GPU interchangeably. GPUs are becoming relatively cheap, powerful, and widely available hardware components, which can be used to perform intensive calculations. The last decade of hardware performance developments shows that GPU-based computation is progressing significantly faster than CPU-based computation, particularly if one considers the execution of highly parallelisable algorithms. Future predictions illustrate that this trend is likely to continue. In this paper, we introduce a way of accelerating 2-D/3-D image registration by developing a hybrid system which executes on the CPU and utilizes the GPU for parallelizing the generation of digitally reconstructed radiographs (DRRs). Based on the advancements of the GPU over the CPU, it is timely to exploit the benefits of many-core GPU technology by developing algorithms for DRR generation. Although some previous work has investigated the rendering of DRRs using the GPU, this paper investigates approximations which reduce the computational overhead while still maintaining a quality consistent with that needed for 2-D/3-D registration with sufficient accuracy to be clinically acceptable in certain applications of radiation oncology. Furthermore, by comparing implementations of 2-D/3-D registration on the CPU and GPU, we investigate current performance and propose an optimal framework for PC implementations addressing the rigid registration problem. Using this framework, we are able to render DRR images from a 256×256×133 CT volume in ~24 ms using an NVidia GeForce 8800 GTX and in ~2 ms using NVidia GeForce GTX 580. In addition to applications requiring fast automatic patient setup, these levels of performance suggest image-guided radiation therapy at video frame rates is technically feasible using relatively low cost PC architecture.

Accelerating Biomedical Signal Processing Using GPU: A Case Study of Snore Sound Feature Extraction.

PubMed

Guo, Jian; Qian, Kun; Zhang, Gongxuan; Xu, Huijie; Schuller, Björn

2017-12-01

The advent of 'Big Data' and 'Deep Learning' offers both, a great challenge and a huge opportunity for personalised health-care. In machine learning-based biomedical data analysis, feature extraction is a key step for 'feeding' the subsequent classifiers. With increasing numbers of biomedical data, extracting features from these 'big' data is an intensive and time-consuming task. In this case study, we employ a Graphics Processing Unit (GPU) via Python to extract features from a large corpus of snore sound data. Those features can subsequently be imported into many well-known deep learning training frameworks without any format processing. The snore sound data were collected from several hospitals (20 subjects, with 770-990 MB per subject - in total 17.20 GB). Experimental results show that our GPU-based processing significantly speeds up the feature extraction phase, by up to seven times, as compared to the previous CPU system.

Classification of hyperspectral imagery using MapReduce on a NVIDIA graphics processing unit (Conference Presentation)

NASA Astrophysics Data System (ADS)

Ramirez, Andres; Rahnemoonfar, Maryam

2017-04-01

A hyperspectral image provides multidimensional figure rich in data consisting of hundreds of spectral dimensions. Analyzing the spectral and spatial information of such image with linear and non-linear algorithms will result in high computational time. In order to overcome this problem, this research presents a system using a MapReduce-Graphics Processing Unit (GPU) model that can help analyzing a hyperspectral image through the usage of parallel hardware and a parallel programming model, which will be simpler to handle compared to other low-level parallel programming models. Additionally, Hadoop was used as an open-source version of the MapReduce parallel programming model. This research compared classification accuracy results and timing results between the Hadoop and GPU system and tested it against the following test cases: the CPU and GPU test case, a CPU test case and a test case where no dimensional reduction was applied.

GPU based framework for geospatial analyses

NASA Astrophysics Data System (ADS)

Cosmin Sandric, Ionut; Ionita, Cristian; Dardala, Marian; Furtuna, Titus

2017-04-01

Parallel processing on multiple CPU cores is already used at large scale in geocomputing, but parallel processing on graphics cards is just at the beginning. Being able to use an simple laptop with a dedicated graphics card for advanced and very fast geocomputation is an advantage that each scientist wants to have. The necessity to have high speed computation in geosciences has increased in the last 10 years, mostly due to the increase in the available datasets. These datasets are becoming more and more detailed and hence they require more space to store and more time to process. Distributed computation on multicore CPU's and GPU's plays an important role by processing one by one small parts from these big datasets. These way of computations allows to speed up the process, because instead of using just one process for each dataset, the user can use all the cores from a CPU or up to hundreds of cores from GPU The framework provide to the end user a standalone tools for morphometry analyses at multiscale level. An important part of the framework is dedicated to uncertainty propagation in geospatial analyses. The uncertainty may come from the data collection or may be induced by the model or may have an infinite sources. These uncertainties plays important roles when a spatial delineation of the phenomena is modelled. Uncertainty propagation is implemented inside the GPU framework using Monte Carlo simulations. The GPU framework with the standalone tools proved to be a reliable tool for modelling complex natural phenomena The framework is based on NVidia Cuda technology and is written in C++ programming language. The code source will be available on github at https://github.com/sandricionut/GeoRsGPU Acknowledgement: GPU framework for geospatial analysis, Young Researchers Grant (ICUB-University of Bucharest) 2016, director Ionut Sandric

NaNet-10: a 10GbE network interface card for the GPU-based low-level trigger of the NA62 RICH detector.

NASA Astrophysics Data System (ADS)

Ammendola, R.; Biagioni, A.; Fiorini, M.; Frezza, O.; Lonardo, A.; Lamanna, G.; Lo Cicero, F.; Martinelli, M.; Neri, I.; Paolucci, P. S.; Pastorelli, E.; Piandani, R.; Pontisso, L.; Rossetti, D.; Simula, F.; Sozzi, M.; Tosoratto, L.; Vicini, P.

2016-03-01

A GPU-based low level (L0) trigger is currently integrated in the experimental setup of the RICH detector of the NA62 experiment to assess the feasibility of building more refined physics-related trigger primitives and thus improve the trigger discriminating power. To ensure the real-time operation of the system, a dedicated data transport mechanism has been implemented: an FPGA-based Network Interface Card (NaNet-10) receives data from detectors and forwards them with low, predictable latency to the memory of the GPU performing the trigger algorithms. Results of the ring-shaped hit patterns reconstruction will be reported and discussed.

Bayer image parallel decoding based on GPU

NASA Astrophysics Data System (ADS)

Hu, Rihui; Xu, Zhiyong; Wei, Yuxing; Sun, Shaohua

2012-11-01

In the photoelectrical tracking system, Bayer image is decompressed in traditional method, which is CPU-based. However, it is too slow when the images become large, for example, 2K×2K×16bit. In order to accelerate the Bayer image decoding, this paper introduces a parallel speedup method for NVIDA's Graphics Processor Unit (GPU) which supports CUDA architecture. The decoding procedure can be divided into three parts: the first is serial part, the second is task-parallelism part, and the last is data-parallelism part including inverse quantization, inverse discrete wavelet transform (IDWT) as well as image post-processing part. For reducing the execution time, the task-parallelism part is optimized by OpenMP techniques. The data-parallelism part could advance its efficiency through executing on the GPU as CUDA parallel program. The optimization techniques include instruction optimization, shared memory access optimization, the access memory coalesced optimization and texture memory optimization. In particular, it can significantly speed up the IDWT by rewriting the 2D (Tow-dimensional) serial IDWT into 1D parallel IDWT. Through experimenting with 1K×1K×16bit Bayer image, data-parallelism part is 10 more times faster than CPU-based implementation. Finally, a CPU+GPU heterogeneous decompression system was designed. The experimental result shows that it could achieve 3 to 5 times speed increase compared to the CPU serial method.

Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package.

PubMed

Mermelstein, Daniel J; Lin, Charles; Nelson, Gard; Kretsch, Rachael; McCammon, J Andrew; Walker, Ross C

2018-07-15

Alchemical free energy (AFE) calculations based on molecular dynamics (MD) simulations are key tools in both improving our understanding of a wide variety of biological processes and accelerating the design and optimization of therapeutics for numerous diseases. Computing power and theory have, however, long been insufficient to enable AFE calculations to be routinely applied in early stage drug discovery. One of the major difficulties in performing AFE calculations is the length of time required for calculations to converge to an ensemble average. CPU implementations of MD-based free energy algorithms can effectively only reach tens of nanoseconds per day for systems on the order of 50,000 atoms, even running on massively parallel supercomputers. Therefore, converged free energy calculations on large numbers of potential lead compounds are often untenable, preventing researchers from gaining crucial insight into molecular recognition, potential druggability and other crucial areas of interest. Graphics Processing Units (GPUs) can help address this. We present here a seamless GPU implementation, within the PMEMD module of the AMBER molecular dynamics package, of thermodynamic integration (TI) capable of reaching speeds of >140 ns/day for a 44,907-atom system, with accuracy equivalent to the existing CPU implementation in AMBER. The implementation described here is currently part of the AMBER 18 beta code and will be an integral part of the upcoming version 18 release of AMBER. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

GPU-based relative fuzzy connectedness image segmentation.

PubMed

Zhuge, Ying; Ciesielski, Krzysztof C; Udupa, Jayaram K; Miller, Robert W

2013-01-01

Recently, clinical radiological research and practice are becoming increasingly quantitative. Further, images continue to increase in size and volume. For quantitative radiology to become practical, it is crucial that image segmentation algorithms and their implementations are rapid and yield practical run time on very large data sets. The purpose of this paper is to present a parallel version of an algorithm that belongs to the family of fuzzy connectedness (FC) algorithms, to achieve an interactive speed for segmenting large medical image data sets. The most common FC segmentations, optimizing an [script-l](∞)-based energy, are known as relative fuzzy connectedness (RFC) and iterative relative fuzzy connectedness (IRFC). Both RFC and IRFC objects (of which IRFC contains RFC) can be found via linear time algorithms, linear with respect to the image size. The new algorithm, P-ORFC (for parallel optimal RFC), which is implemented by using NVIDIA's Compute Unified Device Architecture (CUDA) platform, considerably improves the computational speed of the above mentioned CPU based IRFC algorithm. Experiments based on four data sets of small, medium, large, and super data size, achieved speedup factors of 32.8×, 22.9×, 20.9×, and 17.5×, correspondingly, on the NVIDIA Tesla C1060 platform. Although the output of P-ORFC need not precisely match that of IRFC output, it is very close to it and, as the authors prove, always lies between the RFC and IRFC objects. A parallel version of a top-of-the-line algorithm in the family of FC has been developed on the NVIDIA GPUs. An interactive speed of segmentation has been achieved, even for the largest medical image data set. Such GPU implementations may play a crucial role in automatic anatomy recognition in clinical radiology.

GPU-based relative fuzzy connectedness image segmentation

PubMed Central

Zhuge, Ying; Ciesielski, Krzysztof C.; Udupa, Jayaram K.; Miller, Robert W.

2013-01-01

Purpose: Recently, clinical radiological research and practice are becoming increasingly quantitative. Further, images continue to increase in size and volume. For quantitative radiology to become practical, it is crucial that image segmentation algorithms and their implementations are rapid and yield practical run time on very large data sets. The purpose of this paper is to present a parallel version of an algorithm that belongs to the family of fuzzy connectedness (FC) algorithms, to achieve an interactive speed for segmenting large medical image data sets. Methods: The most common FC segmentations, optimizing an ℓ∞-based energy, are known as relative fuzzy connectedness (RFC) and iterative relative fuzzy connectedness (IRFC). Both RFC and IRFC objects (of which IRFC contains RFC) can be found via linear time algorithms, linear with respect to the image size. The new algorithm, P-ORFC (for parallel optimal RFC), which is implemented by using NVIDIA’s Compute Unified Device Architecture (CUDA) platform, considerably improves the computational speed of the above mentioned CPU based IRFC algorithm. Results: Experiments based on four data sets of small, medium, large, and super data size, achieved speedup factors of 32.8×, 22.9×, 20.9×, and 17.5×, correspondingly, on the NVIDIA Tesla C1060 platform. Although the output of P-ORFC need not precisely match that of IRFC output, it is very close to it and, as the authors prove, always lies between the RFC and IRFC objects. Conclusions: A parallel version of a top-of-the-line algorithm in the family of FC has been developed on the NVIDIA GPUs. An interactive speed of segmentation has been achieved, even for the largest medical image data set. Such GPU implementations may play a crucial role in automatic anatomy recognition in clinical radiology. PMID:23298094

Simulation-based MDP verification for leading-edge masks

NASA Astrophysics Data System (ADS)

Su, Bo; Syrel, Oleg; Pomerantsev, Michael; Hagiwara, Kazuyuki; Pearman, Ryan; Pang, Leo; Fujimara, Aki

2017-07-01

For IC design starts below the 20nm technology node, the assist features on photomasks shrink well below 60nm and the printed patterns of those features on masks written by VSB eBeam writers start to show a large deviation from the mask designs. Traditional geometry-based fracturing starts to show large errors for those small features. As a result, other mask data preparation (MDP) methods have become available and adopted, such as rule-based Mask Process Correction (MPC), model-based MPC and eventually model-based MDP. The new MDP methods may place shot edges slightly differently from target to compensate for mask process effects, so that the final patterns on a mask are much closer to the design (which can be viewed as the ideal mask), especially for those assist features. Such an alteration generally produces better masks that are closer to the intended mask design. Traditional XOR-based MDP verification cannot detect problems caused by eBeam effects. Much like model-based OPC verification which became a necessity for OPC a decade ago, we see the same trend in MDP today. Simulation-based MDP verification solution requires a GPU-accelerated computational geometry engine with simulation capabilities. To have a meaningful simulation-based mask check, a good mask process model is needed. The TrueModel® system is a field tested physical mask model developed by D2S. The GPU-accelerated D2S Computational Design Platform (CDP) is used to run simulation-based mask check, as well as model-based MDP. In addition to simulation-based checks such as mask EPE or dose margin, geometry-based rules are also available to detect quality issues such as slivers or CD splits. Dose margin related hotspots can also be detected by setting a correct detection threshold. In this paper, we will demonstrate GPU-acceleration for geometry processing, and give examples of mask check results and performance data. GPU-acceleration is necessary to make simulation-based mask MDP verification acceptable.

Particle-in-cell simulations with charge-conserving current deposition on graphic processing units

NASA Astrophysics Data System (ADS)

Ren, Chuang; Kong, Xianglong; Huang, Michael; Decyk, Viktor; Mori, Warren

2011-10-01

Recently using CUDA, we have developed an electromagnetic Particle-in-Cell (PIC) code with charge-conserving current deposition for Nvidia graphic processing units (GPU's) (Kong et al., Journal of Computational Physics 230, 1676 (2011). On a Tesla M2050 (Fermi) card, the GPU PIC code can achieve a one-particle-step process time of 1.2 - 3.2 ns in 2D and 2.3 - 7.2 ns in 3D, depending on plasma temperatures. In this talk we will discuss novel algorithms for GPU-PIC including charge-conserving current deposition scheme with few branching and parallel particle sorting. These algorithms have made efficient use of the GPU shared memory. We will also discuss how to replace the computation kernels of existing parallel CPU codes while keeping their parallel structures. This work was supported by U.S. Department of Energy under Grant Nos. DE-FG02-06ER54879 and DE-FC02-04ER54789 and by NSF under Grant Nos. PHY-0903797 and CCF-0747324.

DEM GPU studies of industrial scale particle simulations for granular flow civil engineering applications

NASA Astrophysics Data System (ADS)

Pizette, Patrick; Govender, Nicolin; Wilke, Daniel N.; Abriak, Nor-Edine

2017-06-01

The use of the Discrete Element Method (DEM) for industrial civil engineering industrial applications is currently limited due to the computational demands when large numbers of particles are considered. The graphics processing unit (GPU) with its highly parallelized hardware architecture shows potential to enable solution of civil engineering problems using discrete granular approaches. We demonstrate in this study the pratical utility of a validated GPU-enabled DEM modeling environment to simulate industrial scale granular problems. As illustration, the flow discharge of storage silos using 8 and 17 million particles is considered. DEM simulations have been performed to investigate the influence of particle size (equivalent size for the 20/40-mesh gravel) and induced shear stress for two hopper shapes. The preliminary results indicate that the shape of the hopper significantly influences the discharge rates for the same material. Specifically, this work shows that GPU-enabled DEM modeling environments can model industrial scale problems on a single portable computer within a day for 30 seconds of process time.

Real-time Graphics Processing Unit Based Fourier Domain Optical Coherence Tomography and Surgical Applications

NASA Astrophysics Data System (ADS)

Zhang, Kang

2011-12-01

In this dissertation, real-time Fourier domain optical coherence tomography (FD-OCT) capable of multi-dimensional micrometer-resolution imaging targeted specifically for microsurgical intervention applications was developed and studied. As a part of this work several ultra-high speed real-time FD-OCT imaging and sensing systems were proposed and developed. A real-time 4D (3D+time) OCT system platform using the graphics processing unit (GPU) to accelerate OCT signal processing, the imaging reconstruction, visualization, and volume rendering was developed. Several GPU based algorithms such as non-uniform fast Fourier transform (NUFFT), numerical dispersion compensation, and multi-GPU implementation were developed to improve the impulse response, SNR roll-off and stability of the system. Full-range complex-conjugate-free FD-OCT was also implemented on the GPU architecture to achieve doubled image range and improved SNR. These technologies overcome the imaging reconstruction and visualization bottlenecks widely exist in current ultra-high speed FD-OCT systems and open the way to interventional OCT imaging for applications in guided microsurgery. A hand-held common-path optical coherence tomography (CP-OCT) distance-sensor based microsurgical tool was developed and validated. Through real-time signal processing, edge detection and feed-back control, the tool was shown to be capable of track target surface and compensate motion. The micro-incision test using a phantom was performed using a CP-OCT-sensor integrated hand-held tool, which showed an incision error less than +/-5 microns, comparing to >100 microns error by free-hand incision. The CP-OCT distance sensor has also been utilized to enhance the accuracy and safety of optical nerve stimulation. Finally, several experiments were conducted to validate the system for surgical applications. One of them involved 4D OCT guided micro-manipulation using a phantom. Multiple volume renderings of one 3D data set were performed with different view angles to allow accurate monitoring of the micro-manipulation, and the user to clearly monitor tool-to-target spatial relation in real-time. The system was also validated by imaging multiple biological samples, such as human fingerprint, human cadaver head and small animals. Compared to conventional surgical microscopes, GPU-based real-time FD-OCT can provide the surgeons with a real-time comprehensive spatial view of the microsurgical region and accurate depth perception.

TU-EF-304-07: Monte Carlo-Based Inverse Treatment Plan Optimization for Intensity Modulated Proton Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Y; UT Southwestern Medical Center, Dallas, TX; Tian, Z

2015-06-15

Purpose: Intensity-modulated proton therapy (IMPT) is increasingly used in proton therapy. For IMPT optimization, Monte Carlo (MC) is desired for spots dose calculations because of its high accuracy, especially in cases with a high level of heterogeneity. It is also preferred in biological optimization problems due to the capability of computing quantities related to biological effects. However, MC simulation is typically too slow to be used for this purpose. Although GPU-based MC engines have become available, the achieved efficiency is still not ideal. The purpose of this work is to develop a new optimization scheme to include GPU-based MC intomore » IMPT. Methods: A conventional approach using MC in IMPT simply calls the MC dose engine repeatedly for each spot dose calculations. However, this is not the optimal approach, because of the unnecessary computations on some spots that turned out to have very small weights after solving the optimization problem. GPU-memory writing conflict occurring at a small beam size also reduces computational efficiency. To solve these problems, we developed a new framework that iteratively performs MC dose calculations and plan optimizations. At each dose calculation step, the particles were sampled from different spots altogether with Metropolis algorithm, such that the particle number is proportional to the latest optimized spot intensity. Simultaneously transporting particles from multiple spots also mitigated the memory writing conflict problem. Results: We have validated the proposed MC-based optimization schemes in one prostate case. The total computation time of our method was ∼5–6 min on one NVIDIA GPU card, including both spot dose calculation and plan optimization, whereas a conventional method naively using the same GPU-based MC engine were ∼3 times slower. Conclusion: A fast GPU-based MC dose calculation method along with a novel optimization workflow is developed. The high efficiency makes it attractive for clinical usages.« less

A GPU-accelerated semi-implicit fractional-step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2018-01-01

Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

An efficient implementation of 3D high-resolution imaging for large-scale seismic data with GPU/CPU heterogeneous parallel computing

NASA Astrophysics Data System (ADS)

Xu, Jincheng; Liu, Wei; Wang, Jin; Liu, Linong; Zhang, Jianfeng

2018-02-01

De-absorption pre-stack time migration (QPSTM) compensates for the absorption and dispersion of seismic waves by introducing an effective Q parameter, thereby making it an effective tool for 3D, high-resolution imaging of seismic data. Although the optimal aperture obtained via stationary-phase migration reduces the computational cost of 3D QPSTM and yields 3D stationary-phase QPSTM, the associated computational efficiency is still the main problem in the processing of 3D, high-resolution images for real large-scale seismic data. In the current paper, we proposed a division method for large-scale, 3D seismic data to optimize the performance of stationary-phase QPSTM on clusters of graphics processing units (GPU). Then, we designed an imaging point parallel strategy to achieve an optimal parallel computing performance. Afterward, we adopted an asynchronous double buffering scheme for multi-stream to perform the GPU/CPU parallel computing. Moreover, several key optimization strategies of computation and storage based on the compute unified device architecture (CUDA) were adopted to accelerate the 3D stationary-phase QPSTM algorithm. Compared with the initial GPU code, the implementation of the key optimization steps, including thread optimization, shared memory optimization, register optimization and special function units (SFU), greatly improved the efficiency. A numerical example employing real large-scale, 3D seismic data showed that our scheme is nearly 80 times faster than the CPU-QPSTM algorithm. Our GPU/CPU heterogeneous parallel computing framework significant reduces the computational cost and facilitates 3D high-resolution imaging for large-scale seismic data.

GPU acceleration towards real-time image reconstruction in 3D tomographic diffractive microscopy

NASA Astrophysics Data System (ADS)

Bailleul, J.; Simon, B.; Debailleul, M.; Liu, H.; Haeberlé, O.

2012-06-01

Phase microscopy techniques regained interest in allowing for the observation of unprepared specimens with excellent temporal resolution. Tomographic diffractive microscopy is an extension of holographic microscopy which permits 3D observations with a finer resolution than incoherent light microscopes. Specimens are imaged by a series of 2D holograms: their accumulation progressively fills the range of frequencies of the specimen in Fourier space. A 3D inverse FFT eventually provides a spatial image of the specimen. Consequently, acquisition then reconstruction are mandatory to produce an image that could prelude real-time control of the observed specimen. The MIPS Laboratory has built a tomographic diffractive microscope with an unsurpassed 130nm resolution but a low imaging speed - no less than one minute. Afterwards, a high-end PC reconstructs the 3D image in 20 seconds. We now expect an interactive system providing preview images during the acquisition for monitoring purposes. We first present a prototype implementing this solution on CPU: acquisition and reconstruction are tied in a producer-consumer scheme, sharing common data into CPU memory. Then we present a prototype dispatching some reconstruction tasks to GPU in order to take advantage of SIMDparallelization for FFT and higher bandwidth for filtering operations. The CPU scheme takes 6 seconds for a 3D image update while the GPU scheme can go down to 2 or > 1 seconds depending on the GPU class. This opens opportunities for 4D imaging of living organisms or crystallization processes. We also consider the relevance of GPU for 3D image interaction in our specific conditions.

Accelerating Smith-Waterman Algorithm for Biological Database Search on CUDA-Compatible GPUs

NASA Astrophysics Data System (ADS)

Munekawa, Yuma; Ino, Fumihiko; Hagihara, Kenichi

This paper presents a fast method capable of accelerating the Smith-Waterman algorithm for biological database search on a cluster of graphics processing units (GPUs). Our method is implemented using compute unified device architecture (CUDA), which is available on the nVIDIA GPU. As compared with previous methods, our method has four major contributions. (1) The method efficiently uses on-chip shared memory to reduce the data amount being transferred between off-chip video memory and processing elements in the GPU. (2) It also reduces the number of data fetches by applying a data reuse technique to query and database sequences. (3) A pipelined method is also implemented to overlap GPU execution with database access. (4) Finally, a master/worker paradigm is employed to accelerate hundreds of database searches on a cluster system. In experiments, the peak performance on a GeForce GTX 280 card reaches 8.32 giga cell updates per second (GCUPS). We also find that our method reduces the amount of data fetches to 1/140, achieving approximately three times higher performance than a previous CUDA-based method. Our 32-node cluster version is approximately 28 times faster than a single GPU version. Furthermore, the effective performance reaches 75.6 giga instructions per second (GIPS) using 32 GeForce 8800 GTX cards.

Rapid motion compensation for prostate biopsy using GPU.

PubMed

Shen, Feimo; Narayanan, Ramkrishnan; Suri, Jasjit S

2008-01-01

Image-guided procedures have become routine in medicine. Due to the nature of three-dimensional (3-D) structure of the target organs, two-dimensional (2-D) image acquisition is gradually being replaced by 3-D imaging. Specifically in the diagnosis of prostate cancer, biopsy can be performed using 3-D transrectal ultrasound (TRUS) image guidance. Because prostatic cancers are multifocal, it is crucial to accurately guide biopsy needles towards planned targets. Further the gland tends to move due to external physical disturbances, discomfort introduced by the procedure or intrinsic peristalsis. As a result the exact position of the gland must be rapidly updated so as to correspond with the originally acquired 3-D TRUS volume prior to biopsy planning. A graphics processing unit (GPU) is used in this study to compute rapid updates performing 3-D motion compensation via registration of the live 2-D image and the acquired 3-D TRUS volume. The parallel computational framework on the GPU is exploited resulting in mean compute times of 0.46 seconds for updating the position of a live 2-D buffer image containing 91,000 pixels. A 2x sub-sampling resulted in a further improvement to 0.19 seconds. With the increase in GPU multiprocessors and sub-sampling, we observe that real time motion compensation can be achieved.

Efficient Parallel Video Processing Techniques on GPU: From Framework to Implementation

PubMed Central

Su, Huayou; Wen, Mei; Wu, Nan; Ren, Ju; Zhang, Chunyuan

2014-01-01

Through reorganizing the execution order and optimizing the data structure, we proposed an efficient parallel framework for H.264/AVC encoder based on massively parallel architecture. We implemented the proposed framework by CUDA on NVIDIA's GPU. Not only the compute intensive components of the H.264 encoder are parallelized but also the control intensive components are realized effectively, such as CAVLC and deblocking filter. In addition, we proposed serial optimization methods, including the multiresolution multiwindow for motion estimation, multilevel parallel strategy to enhance the parallelism of intracoding as much as possible, component-based parallel CAVLC, and direction-priority deblocking filter. More than 96% of workload of H.264 encoder is offloaded to GPU. Experimental results show that the parallel implementation outperforms the serial program by 20 times of speedup ratio and satisfies the requirement of the real-time HD encoding of 30 fps. The loss of PSNR is from 0.14 dB to 0.77 dB, when keeping the same bitrate. Through the analysis to the kernels, we found that speedup ratios of the compute intensive algorithms are proportional with the computation power of the GPU. However, the performance of the control intensive parts (CAVLC) is much related to the memory bandwidth, which gives an insight for new architecture design. PMID:24757432

Parallel Implementation of MAFFT on CUDA-Enabled Graphics Hardware.

PubMed

Zhu, Xiangyuan; Li, Kenli; Salah, Ahmad; Shi, Lin; Li, Keqin

2015-01-01

Multiple sequence alignment (MSA) constitutes an extremely powerful tool for many biological applications including phylogenetic tree estimation, secondary structure prediction, and critical residue identification. However, aligning large biological sequences with popular tools such as MAFFT requires long runtimes on sequential architectures. Due to the ever increasing sizes of sequence databases, there is increasing demand to accelerate this task. In this paper, we demonstrate how graphic processing units (GPUs), powered by the compute unified device architecture (CUDA), can be used as an efficient computational platform to accelerate the MAFFT algorithm. To fully exploit the GPU's capabilities for accelerating MAFFT, we have optimized the sequence data organization to eliminate the bandwidth bottleneck of memory access, designed a memory allocation and reuse strategy to make full use of limited memory of GPUs, proposed a new modified-run-length encoding (MRLE) scheme to reduce memory consumption, and used high-performance shared memory to speed up I/O operations. Our implementation tested in three NVIDIA GPUs achieves speedup up to 11.28 on a Tesla K20m GPU compared to the sequential MAFFT 7.015.

MrBayes tgMC3++: A High Performance and Resource-Efficient GPU-Oriented Phylogenetic Analysis Method.

PubMed

Ling, Cheng; Hamada, Tsuyoshi; Gao, Jingyang; Zhao, Guoguang; Sun, Donghong; Shi, Weifeng

2016-01-01

MrBayes is a widespread phylogenetic inference tool harnessing empirical evolutionary models and Bayesian statistics. However, the computational cost on the likelihood estimation is very expensive, resulting in undesirably long execution time. Although a number of multi-threaded optimizations have been proposed to speed up MrBayes, there are bottlenecks that severely limit the GPU thread-level parallelism of likelihood estimations. This study proposes a high performance and resource-efficient method for GPU-oriented parallelization of likelihood estimations. Instead of having to rely on empirical programming, the proposed novel decomposition storage model implements high performance data transfers implicitly. In terms of performance improvement, a speedup factor of up to 178 can be achieved on the analysis of simulated datasets by four Tesla K40 cards. In comparison to the other publicly available GPU-oriented MrBayes, the tgMC 3 ++ method (proposed herein) outperforms the tgMC 3 (v1.0), nMC 3 (v2.1.1) and oMC 3 (v1.00) methods by speedup factors of up to 1.6, 1.9 and 2.9, respectively. Moreover, tgMC 3 ++ supports more evolutionary models and gamma categories, which previous GPU-oriented methods fail to take into analysis.

GPU based contouring method on grid DEM data

NASA Astrophysics Data System (ADS)

Tan, Liheng; Wan, Gang; Li, Feng; Chen, Xiaohui; Du, Wenlong

2017-08-01

This paper presents a novel method to generate contour lines from grid DEM data based on the programmable GPU pipeline. The previous contouring approaches often use CPU to construct a finite element mesh from the raw DEM data, and then extract contour segments from the elements. They also need a tracing or sorting strategy to generate the final continuous contours. These approaches can be heavily CPU-costing and time-consuming. Meanwhile the generated contours would be unsmooth if the raw data is sparsely distributed. Unlike the CPU approaches, we employ the GPU's vertex shader to generate a triangular mesh with arbitrary user-defined density, in which the height of each vertex is calculated through a third-order Cardinal spline function. Then in the same frame, segments are extracted from the triangles by the geometry shader, and translated to the CPU-side with an internal order in the GPU's transform feedback stage. Finally we propose a "Grid Sorting" algorithm to achieve the continuous contour lines by travelling the segments only once. Our method makes use of multiple stages of GPU pipeline for computation, which can generate smooth contour lines, and is significantly faster than the previous CPU approaches. The algorithm can be easily implemented with OpenGL 3.3 API or higher on consumer-level PCs.

FPGA acceleration of rigid-molecule docking codes

PubMed Central

Sukhwani, B.; Herbordt, M.C.

2011-01-01

Modelling the interactions of biological molecules, or docking, is critical both to understanding basic life processes and to designing new drugs. The field programmable gate array (FPGA) based acceleration of a recently developed, complex, production docking code is described. The authors found that it is necessary to extend their previous three-dimensional (3D) correlation structure in several ways, most significantly to support simultaneous computation of several correlation functions. The result for small-molecule docking is a 100-fold speed-up of a section of the code that represents over 95% of the original run-time. An additional 2% is accelerated through a previously described method, yielding a total acceleration of 36× over a single core and 10× over a quad-core. This approach is found to be an ideal complement to graphics processing unit (GPU) based docking, which excels in the protein–protein domain. PMID:21857870

Potential Application of a Graphical Processing Unit to Parallel Computations in the NUBEAM Code

NASA Astrophysics Data System (ADS)

Payne, J.; McCune, D.; Prater, R.

2010-11-01

NUBEAM is a comprehensive computational Monte Carlo based model for neutral beam injection (NBI) in tokamaks. NUBEAM computes NBI-relevant profiles in tokamak plasmas by tracking the deposition and the slowing of fast ions. At the core of NUBEAM are vector calculations used to track fast ions. These calculations have recently been parallelized to run on MPI clusters. However, cost and interlink bandwidth limit the ability to fully parallelize NUBEAM on an MPI cluster. Recent implementation of double precision capabilities for Graphical Processing Units (GPUs) presents a cost effective and high performance alternative or complement to MPI computation. Commercially available graphics cards can achieve up to 672 GFLOPS double precision and can handle hundreds of thousands of threads. The ability to execute at least one thread per particle simultaneously could significantly reduce the execution time and the statistical noise of NUBEAM. Progress on implementation on a GPU will be presented.

Efficient high-quality volume rendering of SPH data.

PubMed

Fraedrich, Roland; Auer, Stefan; Westermann, Rüdiger

2010-01-01

High quality volume rendering of SPH data requires a complex order-dependent resampling of particle quantities along the view rays. In this paper we present an efficient approach to perform this task using a novel view-space discretization of the simulation domain. Our method draws upon recent work on GPU-based particle voxelization for the efficient resampling of particles into uniform grids. We propose a new technique that leverages a perspective grid to adaptively discretize the view-volume, giving rise to a continuous level-of-detail sampling structure and reducing memory requirements compared to a uniform grid. In combination with a level-of-detail representation of the particle set, the perspective grid allows effectively reducing the amount of primitives to be processed at run-time. We demonstrate the quality and performance of our method for the rendering of fluid and gas dynamics SPH simulations consisting of many millions of particles.

GPU accelerated FDTD solver and its application in MRI.

PubMed

Chi, J; Liu, F; Jin, J; Mason, D G; Crozier, S

2010-01-01

The finite difference time domain (FDTD) method is a popular technique for computational electromagnetics (CEM). The large computational power often required, however, has been a limiting factor for its applications. In this paper, we will present a graphics processing unit (GPU)-based parallel FDTD solver and its successful application to the investigation of a novel B1 shimming scheme for high-field magnetic resonance imaging (MRI). The optimized shimming scheme exhibits considerably improved transmit B(1) profiles. The GPU implementation dramatically shortened the runtime of FDTD simulation of electromagnetic field compared with its CPU counterpart. The acceleration in runtime has made such investigation possible, and will pave the way for other studies of large-scale computational electromagnetic problems in modern MRI which were previously impractical.

Aspects of GPU perfomance in algorithms with random memory access

NASA Astrophysics Data System (ADS)

Kashkovsky, Alexander V.; Shershnev, Anton A.; Vashchenkov, Pavel V.

2017-10-01

The numerical code for solving the Boltzmann equation on the hybrid computational cluster using the Direct Simulation Monte Carlo (DSMC) method showed that on Tesla K40 accelerators computational performance drops dramatically with increase of percentage of occupied GPU memory. Testing revealed that memory access time increases tens of times after certain critical percentage of memory is occupied. Moreover, it seems to be the common problem of all NVidia's GPUs arising from its architecture. Few modifications of the numerical algorithm were suggested to overcome this problem. One of them, based on the splitting the memory into "virtual" blocks, resulted in 2.5 times speed up.

GPU-accelerated iterative reconstruction for limited-data tomography in CBCT systems.

PubMed

de Molina, Claudia; Serrano, Estefania; Garcia-Blas, Javier; Carretero, Jesus; Desco, Manuel; Abella, Monica

2018-05-15

Standard cone-beam computed tomography (CBCT) involves the acquisition of at least 360 projections rotating through 360 degrees. Nevertheless, there are cases in which only a few projections can be taken in a limited angular span, such as during surgery, where rotation of the source-detector pair is limited to less than 180 degrees. Reconstruction of limited data with the conventional method proposed by Feldkamp, Davis and Kress (FDK) results in severe artifacts. Iterative methods may compensate for the lack of data by including additional prior information, although they imply a high computational burden and memory consumption. We present an accelerated implementation of an iterative method for CBCT following the Split Bregman formulation, which reduces computational time through GPU-accelerated kernels. The implementation enables the reconstruction of large volumes (>1024 3 pixels) using partitioning strategies in forward- and back-projection operations. We evaluated the algorithm on small-animal data for different scenarios with different numbers of projections, angular span, and projection size. Reconstruction time varied linearly with the number of projections and quadratically with projection size but remained almost unchanged with angular span. Forward- and back-projection operations represent 60% of the total computational burden. Efficient implementation using parallel processing and large-memory management strategies together with GPU kernels enables the use of advanced reconstruction approaches which are needed in limited-data scenarios. Our GPU implementation showed a significant time reduction (up to 48 ×) compared to a CPU-only implementation, resulting in a total reconstruction time from several hours to few minutes.

Bridging FPGA and GPU technologies for AO real-time control

NASA Astrophysics Data System (ADS)

Perret, Denis; Lainé, Maxime; Bernard, Julien; Gratadour, Damien; Sevin, Arnaud

2016-07-01

Our team has developed a common environment for high performance simulations and real-time control of AO systems based on the use of Graphics Processors Units in the context of the COMPASS project. Such a solution, based on the ability of the real time core in the simulation to provide adequate computing performance, limits the cost of developing AO RTC systems and makes them more scalable. A code developed and validated in the context of the simulation may be injected directly into the system and tested on sky. Furthermore, the use of relatively low cost components also offers significant advantages for the system hardware platform. However, the use of GPUs in an AO loop comes with drawbacks: the traditional way of offloading computation from CPU to GPUs - involving multiple copies and unacceptable overhead in kernel launching - is not well suited in a real time context. This last application requires the implementation of a solution enabling direct memory access (DMA) to the GPU memory from a third party device, bypassing the operating system. This allows this device to communicate directly with the real-time core of the simulation feeding it with the WFS camera pixel stream. We show that DMA between a custom FPGA-based frame-grabber and a computation unit (GPU, FPGA, or Coprocessor such as Xeon-phi) across PCIe allows us to get latencies compatible with what will be needed on ELTs. As a fine-grained synchronization mechanism is not yet made available by GPU vendors, we propose the use of memory polling to avoid interrupts handling and involvement of a CPU. Network and Vision protocols are handled by the FPGA-based Network Interface Card (NIC). We present the results we obtained on a complete AO loop using camera and deformable mirror simulators.

GPU-accelerated compressed-sensing (CS) image reconstruction in chest digital tomosynthesis (CDT) using CUDA programming

NASA Astrophysics Data System (ADS)

Choi, Sunghoon; Lee, Haenghwa; Lee, Donghoon; Choi, Seungyeon; Shin, Jungwook; Jang, Woojin; Seo, Chang-Woo; Kim, Hee-Joung

2017-03-01

A compressed-sensing (CS) technique has been rapidly applied in medical imaging field for retrieving volumetric data from highly under-sampled projections. Among many variant forms, CS technique based on a total-variation (TV) regularization strategy shows fairly reasonable results in cone-beam geometry. In this study, we implemented the TV-based CS image reconstruction strategy in our prototype chest digital tomosynthesis (CDT) R/F system. Due to the iterative nature of time consuming processes in solving a cost function, we took advantage of parallel computing using graphics processing units (GPU) by the compute unified device architecture (CUDA) programming to accelerate our algorithm. In order to compare the algorithmic performance of our proposed CS algorithm, conventional filtered back-projection (FBP) and simultaneous algebraic reconstruction technique (SART) reconstruction schemes were also studied. The results indicated that the CS produced better contrast-to-noise ratios (CNRs) in the physical phantom images (Teflon region-of-interest) by factors of 3.91 and 1.93 than FBP and SART images, respectively. The resulted human chest phantom images including lung nodules with different diameters also showed better visual appearance in the CS images. Our proposed GPU-accelerated CS reconstruction scheme could produce volumetric data up to 80 times than CPU programming. Total elapsed time for producing 50 coronal planes with 1024×1024 image matrix using 41 projection views were 216.74 seconds for proposed CS algorithms on our GPU programming, which could match the clinically feasible time ( 3 min). Consequently, our results demonstrated that the proposed CS method showed a potential of additional dose reduction in digital tomosynthesis with reasonable image quality in a fast time.

Real-time electroholography using a multiple-graphics processing unit cluster system with a single spatial light modulator and the InfiniBand network

NASA Astrophysics Data System (ADS)

Niwase, Hiroaki; Takada, Naoki; Araki, Hiromitsu; Maeda, Yuki; Fujiwara, Masato; Nakayama, Hirotaka; Kakue, Takashi; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

2016-09-01

Parallel calculations of large-pixel-count computer-generated holograms (CGHs) are suitable for multiple-graphics processing unit (multi-GPU) cluster systems. However, it is not easy for a multi-GPU cluster system to accomplish fast CGH calculations when CGH transfers between PCs are required. In these cases, the CGH transfer between the PCs becomes a bottleneck. Usually, this problem occurs only in multi-GPU cluster systems with a single spatial light modulator. To overcome this problem, we propose a simple method using the InfiniBand network. The computational speed of the proposed method using 13 GPUs (NVIDIA GeForce GTX TITAN X) was more than 3000 times faster than that of a CPU (Intel Core i7 4770) when the number of three-dimensional (3-D) object points exceeded 20,480. In practice, we achieved ˜40 tera floating point operations per second (TFLOPS) when the number of 3-D object points exceeded 40,960. Our proposed method was able to reconstruct a real-time movie of a 3-D object comprising 95,949 points.

High performance MRI simulations of motion on multi-GPU systems

PubMed Central

2014-01-01

Background MRI physics simulators have been developed in the past for optimizing imaging protocols and for training purposes. However, these simulators have only addressed motion within a limited scope. The purpose of this study was the incorporation of realistic motion, such as cardiac motion, respiratory motion and flow, within MRI simulations in a high performance multi-GPU environment. Methods Three different motion models were introduced in the Magnetic Resonance Imaging SIMULator (MRISIMUL) of this study: cardiac motion, respiratory motion and flow. Simulation of a simple Gradient Echo pulse sequence and a CINE pulse sequence on the corresponding anatomical model was performed. Myocardial tagging was also investigated. In pulse sequence design, software crushers were introduced to accommodate the long execution times in order to avoid spurious echoes formation. The displacement of the anatomical model isochromats was calculated within the Graphics Processing Unit (GPU) kernel for every timestep of the pulse sequence. Experiments that would allow simulation of custom anatomical and motion models were also performed. Last, simulations of motion with MRISIMUL on single-node and multi-node multi-GPU systems were examined. Results Gradient Echo and CINE images of the three motion models were produced and motion-related artifacts were demonstrated. The temporal evolution of the contractility of the heart was presented through the application of myocardial tagging. Better simulation performance and image quality were presented through the introduction of software crushers without the need to further increase the computational load and GPU resources. Last, MRISIMUL demonstrated an almost linear scalable performance with the increasing number of available GPU cards, in both single-node and multi-node multi-GPU computer systems. Conclusions MRISIMUL is the first MR physics simulator to have implemented motion with a 3D large computational load on a single computer multi-GPU configuration. The incorporation of realistic motion models, such as cardiac motion, respiratory motion and flow may benefit the design and optimization of existing or new MR pulse sequences, protocols and algorithms, which examine motion related MR applications. PMID:24996972

Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs

PubMed Central

Lin, Chun-Yuan; Wang, Chung-Hung; Hung, Che-Lun; Lin, Yu-Shiang

2015-01-01

Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n 2), where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore, it still will be time-consuming when comparing with a large amount of compounds (seen as a multiple compound comparison problem, abbreviated to MCC). The intrinsic time complexity of MCC problem is O(k 2 n 2) with k compounds of maximal length n. In this paper, we propose a GPU-based algorithm for MCC problem, called CUDA-MCC, on single- and multi-GPUs. Four LINGO-based load-balancing strategies are considered in CUDA-MCC in order to accelerate the computation speed among thread blocks on GPUs. CUDA-MCC was implemented by C+OpenMP+CUDA. CUDA-MCC achieved 45 times and 391 times faster than its CPU version on a single NVIDIA Tesla K20m GPU card and a dual-NVIDIA Tesla K20m GPU card, respectively, under the experimental results. PMID:26491652

Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs.

PubMed

Lin, Chun-Yuan; Wang, Chung-Hung; Hung, Che-Lun; Lin, Yu-Shiang

2015-01-01

Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n (2)), where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore, it still will be time-consuming when comparing with a large amount of compounds (seen as a multiple compound comparison problem, abbreviated to MCC). The intrinsic time complexity of MCC problem is O(k (2) n (2)) with k compounds of maximal length n. In this paper, we propose a GPU-based algorithm for MCC problem, called CUDA-MCC, on single- and multi-GPUs. Four LINGO-based load-balancing strategies are considered in CUDA-MCC in order to accelerate the computation speed among thread blocks on GPUs. CUDA-MCC was implemented by C+OpenMP+CUDA. CUDA-MCC achieved 45 times and 391 times faster than its CPU version on a single NVIDIA Tesla K20m GPU card and a dual-NVIDIA Tesla K20m GPU card, respectively, under the experimental results.

GPU Implementation of High Rayleigh Number Three-Dimensional Mantle Convection

NASA Astrophysics Data System (ADS)

Sanchez, D. A.; Yuen, D. A.; Wright, G. B.; Barnett, G. A.

2010-12-01

Although we have entered the age of petascale computing, many factors are still prohibiting high-performance computing (HPC) from infiltrating all suitable scientific disciplines. For this reason and others, application of GPU to HPC is gaining traction in the scientific world. With its low price point, high performance potential, and competitive scalability, GPU has been an option well worth considering for the last few years. Moreover with the advent of NVIDIA's Fermi architecture, which brings ECC memory, better double-precision performance, and more RAM to GPU, there is a strong message of corporate support for GPU in HPC. However many doubts linger concerning the practicality of using GPU for scientific computing. In particular, GPU has a reputation for being difficult to program and suitable for only a small subset of problems. Although inroads have been made in addressing these concerns, for many scientists GPU still has hurdles to clear before becoming an acceptable choice. We explore the applicability of GPU to geophysics by implementing a three-dimensional, second-order finite-difference model of Rayleigh-Benard thermal convection on an NVIDIA GPU using C for CUDA. Our code reaches sufficient resolution, on the order of 500x500x250 evenly-spaced finite-difference gridpoints, on a single GPU. We make extensive use of highly optimized CUBLAS routines, allowing us to achieve performance on the order of O( 0.1 ) µs per timestep*gridpoint at this resolution. This performance has allowed us to study high Rayleigh number simulations, on the order of 2x10^7, on a single GPU.

An efficient mixed-precision, hybrid CPU-GPU implementation of a nonlinearly implicit one-dimensional particle-in-cell algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Guangye; Chacon, Luis; Barnes, Daniel C

2012-01-01

Recently, a fully implicit, energy- and charge-conserving particle-in-cell method has been developed for multi-scale, full-f kinetic simulations [G. Chen, et al., J. Comput. Phys. 230, 18 (2011)]. The method employs a Jacobian-free Newton-Krylov (JFNK) solver and is capable of using very large timesteps without loss of numerical stability or accuracy. A fundamental feature of the method is the segregation of particle orbit integrations from the field solver, while remaining fully self-consistent. This provides great flexibility, and dramatically improves the solver efficiency by reducing the degrees of freedom of the associated nonlinear system. However, it requires a particle push per nonlinearmore » residual evaluation, which makes the particle push the most time-consuming operation in the algorithm. This paper describes a very efficient mixed-precision, hybrid CPU-GPU implementation of the implicit PIC algorithm. The JFNK solver is kept on the CPU (in double precision), while the inherent data parallelism of the particle mover is exploited by implementing it in single-precision on a graphics processing unit (GPU) using CUDA. Performance-oriented optimizations, with the aid of an analytical performance model, the roofline model, are employed. Despite being highly dynamic, the adaptive, charge-conserving particle mover algorithm achieves up to 300 400 GOp/s (including single-precision floating-point, integer, and logic operations) on a Nvidia GeForce GTX580, corresponding to 20 25% absolute GPU efficiency (against the peak theoretical performance) and 50-70% intrinsic efficiency (against the algorithm s maximum operational throughput, which neglects all latencies). This is about 200-300 times faster than an equivalent serial CPU implementation. When the single-precision GPU particle mover is combined with a double-precision CPU JFNK field solver, overall performance gains 100 vs. the double-precision CPU-only serial version are obtained, with no apparent loss of robustness or accuracy when applied to a challenging long-time scale ion acoustic wave simulation.« less

An SDR-Based Real-Time Testbed for GNSS Adaptive Array Anti-Jamming Algorithms Accelerated by GPU

PubMed Central

Xu, Hailong; Cui, Xiaowei; Lu, Mingquan

2016-01-01

Nowadays, software-defined radio (SDR) has become a common approach to evaluate new algorithms. However, in the field of Global Navigation Satellite System (GNSS) adaptive array anti-jamming, previous work has been limited due to the high computational power demanded by adaptive algorithms, and often lack flexibility and configurability. In this paper, the design and implementation of an SDR-based real-time testbed for GNSS adaptive array anti-jamming accelerated by a Graphics Processing Unit (GPU) are documented. This testbed highlights itself as a feature-rich and extendible platform with great flexibility and configurability, as well as high computational performance. Both Space-Time Adaptive Processing (STAP) and Space-Frequency Adaptive Processing (SFAP) are implemented with a wide range of parameters. Raw data from as many as eight antenna elements can be processed in real-time in either an adaptive nulling or beamforming mode. To fully take advantage of the parallelism resource provided by the GPU, a batched method in programming is proposed. Tests and experiments are conducted to evaluate both the computational and anti-jamming performance. This platform can be used for research and prototyping, as well as a real product in certain applications. PMID:26978363

An SDR-Based Real-Time Testbed for GNSS Adaptive Array Anti-Jamming Algorithms Accelerated by GPU.

PubMed

Xu, Hailong; Cui, Xiaowei; Lu, Mingquan

2016-03-11

Nowadays, software-defined radio (SDR) has become a common approach to evaluate new algorithms. However, in the field of Global Navigation Satellite System (GNSS) adaptive array anti-jamming, previous work has been limited due to the high computational power demanded by adaptive algorithms, and often lack flexibility and configurability. In this paper, the design and implementation of an SDR-based real-time testbed for GNSS adaptive array anti-jamming accelerated by a Graphics Processing Unit (GPU) are documented. This testbed highlights itself as a feature-rich and extendible platform with great flexibility and configurability, as well as high computational performance. Both Space-Time Adaptive Processing (STAP) and Space-Frequency Adaptive Processing (SFAP) are implemented with a wide range of parameters. Raw data from as many as eight antenna elements can be processed in real-time in either an adaptive nulling or beamforming mode. To fully take advantage of the parallelism resource provided by the GPU, a batched method in programming is proposed. Tests and experiments are conducted to evaluate both the computational and anti-jamming performance. This platform can be used for research and prototyping, as well as a real product in certain applications.

GPU acceleration of Runge Kutta-Fehlberg and its comparison with Dormand-Prince method

NASA Astrophysics Data System (ADS)

Seen, Wo Mei; Gobithaasan, R. U.; Miura, Kenjiro T.

2014-07-01

There is a significant reduction of processing time and speedup of performance in computer graphics with the emergence of Graphic Processing Units (GPUs). GPUs have been developed to surpass Central Processing Unit (CPU) in terms of performance and processing speed. This evolution has opened up a new area in computing and researches where highly parallel GPU has been used for non-graphical algorithms. Physical or phenomenal simulations and modelling can be accelerated through General Purpose Graphic Processing Units (GPGPU) and Compute Unified Device Architecture (CUDA) implementations. These phenomena can be represented with mathematical models in the form of Ordinary Differential Equations (ODEs) which encompasses the gist of change rate between independent and dependent variables. ODEs are numerically integrated over time in order to simulate these behaviours. The classical Runge-Kutta (RK) scheme is the common method used to numerically solve ODEs. The Runge Kutta Fehlberg (RKF) scheme has been specially developed to provide an estimate of the principal local truncation error at each step, known as embedding estimate technique. This paper delves into the implementation of RKF scheme for GPU devices and compares its result with Dorman Prince method. A pseudo code is developed to show the implementation in detail. Hence, practitioners will be able to understand the data allocation in GPU, formation of RKF kernels and the flow of data to/from GPU-CPU upon RKF kernel evaluation. The pseudo code is then written in C Language and two ODE models are executed to show the achievable speedup as compared to CPU implementation. The accuracy and efficiency of the proposed implementation method is discussed in the final section of this paper.

Accelerating finite-rate chemical kinetics with coprocessors: Comparing vectorization methods on GPUs, MICs, and CPUs

NASA Astrophysics Data System (ADS)

Stone, Christopher P.; Alferman, Andrew T.; Niemeyer, Kyle E.

2018-05-01

Accurate and efficient methods for solving stiff ordinary differential equations (ODEs) are a critical component of turbulent combustion simulations with finite-rate chemistry. The ODEs governing the chemical kinetics at each mesh point are decoupled by operator-splitting allowing each to be solved concurrently. An efficient ODE solver must then take into account the available thread and instruction-level parallelism of the underlying hardware, especially on many-core coprocessors, as well as the numerical efficiency. A stiff Rosenbrock and a nonstiff Runge-Kutta ODE solver are both implemented using the single instruction, multiple thread (SIMT) and single instruction, multiple data (SIMD) paradigms within OpenCL. Both methods solve multiple ODEs concurrently within the same instruction stream. The performance of these parallel implementations was measured on three chemical kinetic models of increasing size across several multicore and many-core platforms. Two separate benchmarks were conducted to clearly determine any performance advantage offered by either method. The first benchmark measured the run-time of evaluating the right-hand-side source terms in parallel and the second benchmark integrated a series of constant-pressure, homogeneous reactors using the Rosenbrock and Runge-Kutta solvers. The right-hand-side evaluations with SIMD parallelism on the host multicore Xeon CPU and many-core Xeon Phi co-processor performed approximately three times faster than the baseline multithreaded C++ code. The SIMT parallel model on the host and Phi was 13%-35% slower than the baseline while the SIMT model on the NVIDIA Kepler GPU provided approximately the same performance as the SIMD model on the Phi. The runtimes for both ODE solvers decreased significantly with the SIMD implementations on the host CPU (2.5-2.7 ×) and Xeon Phi coprocessor (4.7-4.9 ×) compared to the baseline parallel code. The SIMT implementations on the GPU ran 1.5-1.6 times faster than the baseline multithreaded CPU code; however, this was significantly slower than the SIMD versions on the host CPU or the Xeon Phi. The performance difference between the three platforms was attributed to thread divergence caused by the adaptive step-sizes within the ODE integrators. Analysis showed that the wider vector width of the GPU incurs a higher level of divergence than the narrower Sandy Bridge or Xeon Phi. The significant performance improvement provided by the SIMD parallel strategy motivates further research into more ODE solver methods that are both SIMD-friendly and computationally efficient.

NaNet: a configurable NIC bridging the gap between HPC and real-time HEP GPU computing

NASA Astrophysics Data System (ADS)

Lonardo, A.; Ameli, F.; Ammendola, R.; Biagioni, A.; Cotta Ramusino, A.; Fiorini, M.; Frezza, O.; Lamanna, G.; Lo Cicero, F.; Martinelli, M.; Neri, I.; Paolucci, P. S.; Pastorelli, E.; Pontisso, L.; Rossetti, D.; Simeone, F.; Simula, F.; Sozzi, M.; Tosoratto, L.; Vicini, P.

2015-04-01

NaNet is a FPGA-based PCIe Network Interface Card (NIC) design with GPUDirect and Remote Direct Memory Access (RDMA) capabilities featuring a configurable and extensible set of network channels. The design currently supports both standard—Gbe (1000BASE-T) and 10GbE (10Base-R)—and custom—34 Gbps APElink and 2.5 Gbps deterministic latency KM3link—channels, but its modularity allows for straightforward inclusion of other link technologies. The GPUDirect feature combined with a transport layer offload module and a data stream processing stage makes NaNet a low-latency NIC suitable for real-time GPU processing. In this paper we describe the NaNet architecture and its performances, exhibiting two of its use cases: the GPU-based low-level trigger for the RICH detector in the NA62 experiment at CERN and the on-/off-shore data transport system for the KM3NeT-IT underwater neutrino telescope.

On the Usage of GPUs for Efficient Motion Estimation in Medical Image Sequences

PubMed Central

Thiyagalingam, Jeyarajan; Goodman, Daniel; Schnabel, Julia A.; Trefethen, Anne; Grau, Vicente

2011-01-01

Images are ubiquitous in biomedical applications from basic research to clinical practice. With the rapid increase in resolution, dimensionality of the images and the need for real-time performance in many applications, computational requirements demand proper exploitation of multicore architectures. Towards this, GPU-specific implementations of image analysis algorithms are particularly promising. In this paper, we investigate the mapping of an enhanced motion estimation algorithm to novel GPU-specific architectures, the resulting challenges and benefits therein. Using a database of three-dimensional image sequences, we show that the mapping leads to substantial performance gains, up to a factor of 60, and can provide near-real-time experience. We also show how architectural peculiarities of these devices can be best exploited in the benefit of algorithms, most specifically for addressing the challenges related to their access patterns and different memory configurations. Finally, we evaluate the performance of the algorithm on three different GPU architectures and perform a comprehensive analysis of the results. PMID:21869880

Real-time simulation of large-scale neural architectures for visual features computation based on GPU.

PubMed

Chessa, Manuela; Bianchi, Valentina; Zampetti, Massimo; Sabatini, Silvio P; Solari, Fabio

2012-01-01

The intrinsic parallelism of visual neural architectures based on distributed hierarchical layers is well suited to be implemented on the multi-core architectures of modern graphics cards. The design strategies that allow us to optimally take advantage of such parallelism, in order to efficiently map on GPU the hierarchy of layers and the canonical neural computations, are proposed. Specifically, the advantages of a cortical map-like representation of the data are exploited. Moreover, a GPU implementation of a novel neural architecture for the computation of binocular disparity from stereo image pairs, based on populations of binocular energy neurons, is presented. The implemented neural model achieves good performances in terms of reliability of the disparity estimates and a near real-time execution speed, thus demonstrating the effectiveness of the devised design strategies. The proposed approach is valid in general, since the neural building blocks we implemented are a common basis for the modeling of visual neural functionalities.

Real-time motion artifacts compensation of ToF sensors data on GPU

NASA Astrophysics Data System (ADS)

Lefloch, Damien; Hoegg, Thomas; Kolb, Andreas

2013-05-01

Over the last decade, ToF sensors attracted many computer vision and graphics researchers. Nevertheless, ToF devices suffer from severe motion artifacts for dynamic scenes as well as low-resolution depth data which strongly justifies the importance of a valid correction. To counterbalance this effect, a pre-processing approach is introduced to greatly improve range image data on dynamic scenes. We first demonstrate the robustness of our approach using simulated data to finally validate our method using sensor range data. Our GPU-based processing pipeline enhances range data reliability in real-time.

LASSIE: simulating large-scale models of biochemical systems on GPUs.

PubMed

Tangherloni, Andrea; Nobile, Marco S; Besozzi, Daniela; Mauri, Giancarlo; Cazzaniga, Paolo

2017-05-10

Mathematical modeling and in silico analysis are widely acknowledged as complementary tools to biological laboratory methods, to achieve a thorough understanding of emergent behaviors of cellular processes in both physiological and perturbed conditions. Though, the simulation of large-scale models-consisting in hundreds or thousands of reactions and molecular species-can rapidly overtake the capabilities of Central Processing Units (CPUs). The purpose of this work is to exploit alternative high-performance computing solutions, such as Graphics Processing Units (GPUs), to allow the investigation of these models at reduced computational costs. LASSIE is a "black-box" GPU-accelerated deterministic simulator, specifically designed for large-scale models and not requiring any expertise in mathematical modeling, simulation algorithms or GPU programming. Given a reaction-based model of a cellular process, LASSIE automatically generates the corresponding system of Ordinary Differential Equations (ODEs), assuming mass-action kinetics. The numerical solution of the ODEs is obtained by automatically switching between the Runge-Kutta-Fehlberg method in the absence of stiffness, and the Backward Differentiation Formulae of first order in presence of stiffness. The computational performance of LASSIE are assessed using a set of randomly generated synthetic reaction-based models of increasing size, ranging from 64 to 8192 reactions and species, and compared to a CPU-implementation of the LSODA numerical integration algorithm. LASSIE adopts a novel fine-grained parallelization strategy to distribute on the GPU cores all the calculations required to solve the system of ODEs. By virtue of this implementation, LASSIE achieves up to 92× speed-up with respect to LSODA, therefore reducing the running time from approximately 1 month down to 8 h to simulate models consisting in, for instance, four thousands of reactions and species. Notably, thanks to its smaller memory footprint, LASSIE is able to perform fast simulations of even larger models, whereby the tested CPU-implementation of LSODA failed to reach termination. LASSIE is therefore expected to make an important breakthrough in Systems Biology applications, for the execution of faster and in-depth computational analyses of large-scale models of complex biological systems.

Modeling the 1958 Lituya Bay mega-tsunami with a PVM-IFCP GPU-based model

NASA Astrophysics Data System (ADS)

González-Vida, José M.; Arcas, Diego; de la Asunción, Marc; Castro, Manuel J.; Macías, Jorge; Ortega, Sergio; Sánchez-Linares, Carlos; Titov, Vasily

2013-04-01

In this work we present a numerical study, performed in collaboration with the NOAA Center for Tsunami Research (USA), that uses a GPU version of the PVM-IFCP landslide model for the simulation of the 1958 landslide generated tsunami of Lituya Bay. In this model, a layer composed of fluidized granular material is assumed to flow within an upper layer of an inviscid fluid (e. g. water). The model is discretized using a two dimensional PVM-IFCP [Fernández - Castro - Parés. On an Intermediate Field Capturing Riemann Solver Based on a Parabolic Viscosity Matrix for the Two-Layer Shallow Water System, J. Sci. Comput., 48 (2011):117-140] finite volume scheme implemented on GPU cards for increasing the speed-up. This model has been previously validated by using the two-dimensional physical laboratory experiments data from H. Fritz [Lituya Bay Landslide Impact Generated Mega-Tsunami 50th Anniversary. Pure Appl. Geophys., 166 (2009) pp. 153-175]. In the present work, the first step was to reconstruct the topobathymetry of the Lituya Bay before this event ocurred, this is based on USGS geological surveys data. Then, a sensitivity analysis of some model parameters has been performed in order to determine the parameters that better fit to reality, when model results are compared against available event data, as run-up areas. In this presentation, the reconstruction of the pre-tsunami scenario will be shown, a detailed simulation of the tsunami presented and several comparisons with real data (runup, wave height, etc.) shown.

High performance transcription factor-DNA docking with GPU computing

PubMed Central

2012-01-01

Background Protein-DNA docking is a very challenging problem in structural bioinformatics and has important implications in a number of applications, such as structure-based prediction of transcription factor binding sites and rational drug design. Protein-DNA docking is very computational demanding due to the high cost of energy calculation and the statistical nature of conformational sampling algorithms. More importantly, experiments show that the docking quality depends on the coverage of the conformational sampling space. It is therefore desirable to accelerate the computation of the docking algorithm, not only to reduce computing time, but also to improve docking quality. Methods In an attempt to accelerate the sampling process and to improve the docking performance, we developed a graphics processing unit (GPU)-based protein-DNA docking algorithm. The algorithm employs a potential-based energy function to describe the binding affinity of a protein-DNA pair, and integrates Monte-Carlo simulation and a simulated annealing method to search through the conformational space. Algorithmic techniques were developed to improve the computation efficiency and scalability on GPU-based high performance computing systems. Results The effectiveness of our approach is tested on a non-redundant set of 75 TF-DNA complexes and a newly developed TF-DNA docking benchmark. We demonstrated that the GPU-based docking algorithm can significantly accelerate the simulation process and thereby improving the chance of finding near-native TF-DNA complex structures. This study also suggests that further improvement in protein-DNA docking research would require efforts from two integral aspects: improvement in computation efficiency and energy function design. Conclusions We present a high performance computing approach for improving the prediction accuracy of protein-DNA docking. The GPU-based docking algorithm accelerates the search of the conformational space and thus increases the chance of finding more near-native structures. To the best of our knowledge, this is the first ad hoc effort of applying GPU or GPU clusters to the protein-DNA docking problem. PMID:22759575

Accelerating Monte Carlo simulations of photon transport in a voxelized geometry using a massively parallel graphics processing unit.

PubMed

Badal, Andreu; Badano, Aldo

2009-11-01

It is a known fact that Monte Carlo simulations of radiation transport are computationally intensive and may require long computing times. The authors introduce a new paradigm for the acceleration of Monte Carlo simulations: The use of a graphics processing unit (GPU) as the main computing device instead of a central processing unit (CPU). A GPU-based Monte Carlo code that simulates photon transport in a voxelized geometry with the accurate physics models from PENELOPE has been developed using the CUDATM programming model (NVIDIA Corporation, Santa Clara, CA). An outline of the new code and a sample x-ray imaging simulation with an anthropomorphic phantom are presented. A remarkable 27-fold speed up factor was obtained using a GPU compared to a single core CPU. The reported results show that GPUs are currently a good alternative to CPUs for the simulation of radiation transport. Since the performance of GPUs is currently increasing at a faster pace than that of CPUs, the advantages of GPU-based software are likely to be more pronounced in the future.

3D brain tumor localization and parameter estimation using thermographic approach on GPU.

PubMed

Bousselham, Abdelmajid; Bouattane, Omar; Youssfi, Mohamed; Raihani, Abdelhadi

2018-01-01

The aim of this paper is to present a GPU parallel algorithm for brain tumor detection to estimate its size and location from surface temperature distribution obtained by thermography. The normal brain tissue is modeled as a rectangular cube including spherical tumor. The temperature distribution is calculated using forward three dimensional Pennes bioheat transfer equation, it's solved using massively parallel Finite Difference Method (FDM) and implemented on Graphics Processing Unit (GPU). Genetic Algorithm (GA) was used to solve the inverse problem and estimate the tumor size and location by minimizing an objective function involving measured temperature on the surface to those obtained by numerical simulation. The parallel implementation of Finite Difference Method reduces significantly the time of bioheat transfer and greatly accelerates the inverse identification of brain tumor thermophysical and geometrical properties. Experimental results show significant gains in the computational speed on GPU and achieve a speedup of around 41 compared to the CPU. The analysis performance of the estimation based on tumor size inside brain tissue also presented. Copyright © 2017 Elsevier Ltd. All rights reserved.

An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU

NASA Astrophysics Data System (ADS)

Lyakh, Dmitry I.

2015-04-01

An efficient parallel tensor transpose algorithm is suggested for shared-memory computing units, namely, multicore CPU, Intel Xeon Phi, and NVidia GPU. The algorithm operates on dense tensors (multidimensional arrays) and is based on the optimization of cache utilization on x86 CPU and the use of shared memory on NVidia GPU. From the applied side, the ultimate goal is to minimize the overhead encountered in the transformation of tensor contractions into matrix multiplications in computer implementations of advanced methods of quantum many-body theory (e.g., in electronic structure theory and nuclear physics). A particular accent is made on higher-dimensional tensors that typically appear in the so-called multireference correlated methods of electronic structure theory. Depending on tensor dimensionality, the presented optimized algorithms can achieve an order of magnitude speedup on x86 CPUs and 2-3 times speedup on NVidia Tesla K20X GPU with respect to the naïve scattering algorithm (no memory access optimization). The tensor transpose routines developed in this work have been incorporated into a general-purpose tensor algebra library (TAL-SH).

Fast in-memory elastic full-waveform inversion using consumer-grade GPUs

NASA Astrophysics Data System (ADS)

Sivertsen Bergslid, Tore; Birger Raknes, Espen; Arntsen, Børge

2017-04-01

Full-waveform inversion (FWI) is a technique to estimate subsurface properties by using the recorded waveform produced by a seismic source and applying inverse theory. This is done through an iterative optimization procedure, where each iteration requires solving the wave equation many times, then trying to minimize the difference between the modeled and the measured seismic data. Having to model many of these seismic sources per iteration means that this is a highly computationally demanding procedure, which usually involves writing a lot of data to disk. We have written code that does forward modeling and inversion entirely in memory. A typical HPC cluster has many more CPUs than GPUs. Since FWI involves modeling many seismic sources per iteration, the obvious approach is to parallelize the code on a source-by-source basis, where each core of the CPU performs one modeling, and do all modelings simultaneously. With this approach, the GPU is already at a major disadvantage in pure numbers. Fortunately, GPUs can more than make up for this hardware disadvantage by performing each modeling much faster than a CPU. Another benefit of parallelizing each individual modeling is that it lets each modeling use a lot more RAM. If one node has 128 GB of RAM and 20 CPU cores, each modeling can use only 6.4 GB RAM if one is running the node at full capacity with source-by-source parallelization on the CPU. A parallelized per-source code using GPUs can use 64 GB RAM per modeling. Whenever a modeling uses more RAM than is available and has to start using regular disk space the runtime increases dramatically, due to slow file I/O. The extremely high computational speed of the GPUs combined with the large amount of RAM available for each modeling lets us do high frequency FWI for fairly large models very quickly. For a single modeling, our GPU code outperforms the single-threaded CPU-code by a factor of about 75. Successful inversions have been run on data with frequencies up to 40 Hz for a model of 2001 by 600 grid points with 5 m grid spacing and 5000 time steps, in less than 2.5 minutes per source. In practice, using 15 nodes (30 GPUs) to model 101 sources, each iteration took approximately 9 minutes. For reference, the same inversion run with our CPU code uses two hours per iteration. This was done using only a very simple wavefield interpolation technique, saving every second timestep. Using a more sophisticated checkpointing or wavefield reconstruction method would allow us to increase this model size significantly. Our results show that ordinary gaming GPUs are a viable alternative to the expensive professional GPUs often used today, when performing large scale modeling and inversion in geophysics.

Graphics Processing Unit (GPU) Acceleration of the Goddard Earth Observing System Atmospheric Model

NASA Technical Reports Server (NTRS)

Putnam, Williama

2011-01-01

The Goddard Earth Observing System 5 (GEOS-5) is the atmospheric model used by the Global Modeling and Assimilation Office (GMAO) for a variety of applications, from long-term climate prediction at relatively coarse resolution, to data assimilation and numerical weather prediction, to very high-resolution cloud-resolving simulations. GEOS-5 is being ported to a graphics processing unit (GPU) cluster at the NASA Center for Climate Simulation (NCCS). By utilizing GPU co-processor technology, we expect to increase the throughput of GEOS-5 by at least an order of magnitude, and accelerate the process of scientific exploration across all scales of global modeling, including: The large-scale, high-end application of non-hydrostatic, global, cloud-resolving modeling at 10- to I-kilometer (km) global resolutions Intermediate-resolution seasonal climate and weather prediction at 50- to 25-km on small clusters of GPUs Long-range, coarse-resolution climate modeling, enabled on a small box of GPUs for the individual researcher After being ported to the GPU cluster, the primary physics components and the dynamical core of GEOS-5 have demonstrated a potential speedup of 15-40 times over conventional processor cores. Performance improvements of this magnitude reduce the required scalability of 1-km, global, cloud-resolving models from an unfathomable 6 million cores to an attainable 200,000 GPU-enabled cores.

Transform-Based Channel-Data Compression to Improve the Performance of a Real-Time GPU-Based Software Beamformer.

PubMed

Lok, U-Wai; Li, Pai-Chi

2016-03-01

Graphics processing unit (GPU)-based software beamforming has advantages over hardware-based beamforming of easier programmability and a faster design cycle, since complicated imaging algorithms can be efficiently programmed and modified. However, the need for a high data rate when transferring ultrasound radio-frequency (RF) data from the hardware front end to the software back end limits the real-time performance. Data compression methods can be applied to the hardware front end to mitigate the data transfer issue. Nevertheless, most decompression processes cannot be performed efficiently on a GPU, thus becoming another bottleneck of the real-time imaging. Moreover, lossless (or nearly lossless) compression is desirable to avoid image quality degradation. In a previous study, we proposed a real-time lossless compression-decompression algorithm and demonstrated that it can reduce the overall processing time because the reduction in data transfer time is greater than the computation time required for compression/decompression. This paper analyzes the lossless compression method in order to understand the factors limiting the compression efficiency. Based on the analytical results, a nearly lossless compression is proposed to further enhance the compression efficiency. The proposed method comprises a transformation coding method involving modified lossless compression that aims at suppressing amplitude data. The simulation results indicate that the compression ratio (CR) of the proposed approach can be enhanced from nearly 1.8 to 2.5, thus allowing a higher data acquisition rate at the front end. The spatial and contrast resolutions with and without compression were almost identical, and the process of decompressing the data of a single frame on a GPU took only several milliseconds. Moreover, the proposed method has been implemented in a 64-channel system that we built in-house to demonstrate the feasibility of the proposed algorithm in a real system. It was found that channel data from a 64-channel system can be transferred using the standard USB 3.0 interface in most practical imaging applications.

A new Self-Adaptive disPatching System for local clusters

NASA Astrophysics Data System (ADS)

Kan, Bowen; Shi, Jingyan; Lei, Xiaofeng

2015-12-01

The scheduler is one of the most important components of a high performance cluster. This paper introduces a self-adaptive dispatching system (SAPS) based on Torque[1] and Maui[2]. It promotes cluster resource utilization and improves the overall speed of tasks. It provides some extra functions for administrators and users. First of all, in order to allow the scheduling of GPUs, a GPU scheduling module based on Torque and Maui has been developed. Second, SAPS analyses the relationship between the number of queueing jobs and the idle job slots, and then tunes the priority of users’ jobs dynamically. This means more jobs run and fewer job slots are idle. Third, integrating with the monitoring function, SAPS excludes nodes in error states as detected by the monitor, and returns them to the cluster after the nodes have recovered. In addition, SAPS provides a series of function modules including a batch monitoring management module, a comprehensive scheduling accounting module and a real-time alarm module. The aim of SAPS is to enhance the reliability and stability of Torque and Maui. Currently, SAPS has been running stably on a local cluster at IHEP (Institute of High Energy Physics, Chinese Academy of Sciences), with more than 12,000 cpu cores and 50,000 jobs running each day. Monitoring has shown that resource utilization has been improved by more than 26%, and the management work for both administrator and users has been reduced greatly.

GPU-based real-time soft tissue deformation with cutting and haptic feedback.

PubMed

Courtecuisse, Hadrien; Jung, Hoeryong; Allard, Jérémie; Duriez, Christian; Lee, Doo Yong; Cotin, Stéphane

2010-12-01

This article describes a series of contributions in the field of real-time simulation of soft tissue biomechanics. These contributions address various requirements for interactive simulation of complex surgical procedures. In particular, this article presents results in the areas of soft tissue deformation, contact modelling, simulation of cutting, and haptic rendering, which are all relevant to a variety of medical interventions. The contributions described in this article share a common underlying model of deformation and rely on GPU implementations to significantly improve computation times. This consistency in the modelling technique and computational approach ensures coherent results as well as efficient, robust and flexible solutions. Copyright © 2010 Elsevier Ltd. All rights reserved.

Real time ray tracing based on shader

NASA Astrophysics Data System (ADS)

Gui, JiangHeng; Li, Min

2017-07-01

Ray tracing is a rendering algorithm for generating an image through tracing lights into an image plane, it can simulate complicate optical phenomenon like refraction, depth of field and motion blur. Compared with rasterization, ray tracing can achieve more realistic rendering result, however with greater computational cost, simple scene rendering can consume tons of time. With the GPU's performance improvement and the advent of programmable rendering pipeline, complicated algorithm can also be implemented directly on shader. So, this paper proposes a new method that implement ray tracing directly on fragment shader, mainly include: surface intersection, importance sampling and progressive rendering. With the help of GPU's powerful throughput capability, it can implement real time rendering of simple scene.

A Web-based Distributed Voluntary Computing Platform for Large Scale Hydrological Computations

NASA Astrophysics Data System (ADS)

Demir, I.; Agliamzanov, R.

2014-12-01

Distributed volunteer computing can enable researchers and scientist to form large parallel computing environments to utilize the computing power of the millions of computers on the Internet, and use them towards running large scale environmental simulations and models to serve the common good of local communities and the world. Recent developments in web technologies and standards allow client-side scripting languages to run at speeds close to native application, and utilize the power of Graphics Processing Units (GPU). Using a client-side scripting language like JavaScript, we have developed an open distributed computing framework that makes it easy for researchers to write their own hydrologic models, and run them on volunteer computers. Users will easily enable their websites for visitors to volunteer sharing their computer resources to contribute running advanced hydrological models and simulations. Using a web-based system allows users to start volunteering their computational resources within seconds without installing any software. The framework distributes the model simulation to thousands of nodes in small spatial and computational sizes. A relational database system is utilized for managing data connections and queue management for the distributed computing nodes. In this paper, we present a web-based distributed volunteer computing platform to enable large scale hydrological simulations and model runs in an open and integrated environment.

Accelerated Monte Carlo Simulation on the Chemical Stage in Water Radiolysis using GPU

PubMed Central

Tian, Zhen; Jiang, Steve B.; Jia, Xun

2018-01-01

The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2. PMID:28323637

Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU

NASA Astrophysics Data System (ADS)

Tian, Zhen; Jiang, Steve B.; Jia, Xun

2017-04-01

The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2.

Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU.

PubMed

Tian, Zhen; Jiang, Steve B; Jia, Xun

2017-04-21

The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2.

A comparison of native GPU computing versus OpenACC for implementing flow-routing algorithms in hydrological applications

NASA Astrophysics Data System (ADS)

Rueda, Antonio J.; Noguera, José M.; Luque, Adrián

2016-02-01

In recent years GPU computing has gained wide acceptance as a simple low-cost solution for speeding up computationally expensive processing in many scientific and engineering applications. However, in most cases accelerating a traditional CPU implementation for a GPU is a non-trivial task that requires a thorough refactorization of the code and specific optimizations that depend on the architecture of the device. OpenACC is a promising technology that aims at reducing the effort required to accelerate C/C++/Fortran code on an attached multicore device. Virtually with this technology the CPU code only has to be augmented with a few compiler directives to identify the areas to be accelerated and the way in which data has to be moved between the CPU and GPU. Its potential benefits are multiple: better code readability, less development time, lower risk of errors and less dependency on the underlying architecture and future evolution of the GPU technology. Our aim with this work is to evaluate the pros and cons of using OpenACC against native GPU implementations in computationally expensive hydrological applications, using the classic D8 algorithm of O'Callaghan and Mark for river network extraction as case-study. We implemented the flow accumulation step of this algorithm in CPU, using OpenACC and two different CUDA versions, comparing the length and complexity of the code and its performance with different datasets. We advance that although OpenACC can not match the performance of a CUDA optimized implementation (×3.5 slower in average), it provides a significant performance improvement against a CPU implementation (×2-6) with by far a simpler code and less implementation effort.

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.

PubMed

Cawkwell, M J; Sanville, E J; Mniszewski, S M; Niklasson, Anders M N

2012-11-13

The self-consistent solution of a Schrödinger-like equation for the density matrix is a critical and computationally demanding step in quantum-based models of interatomic bonding. This step was tackled historically via the diagonalization of the Hamiltonian. We have investigated the performance and accuracy of the second-order spectral projection (SP2) algorithm for the computation of the density matrix via a recursive expansion of the Fermi operator in a series of generalized matrix-matrix multiplications. We demonstrate that owing to its simplicity, the SP2 algorithm [Niklasson, A. M. N. Phys. Rev. B2002, 66, 155115] is exceptionally well suited to implementation on graphics processing units (GPUs). The performance in double and single precision arithmetic of a hybrid GPU/central processing unit (CPU) and full GPU implementation of the SP2 algorithm exceed those of a CPU-only implementation of the SP2 algorithm and traditional matrix diagonalization when the dimensions of the matrices exceed about 2000 × 2000. Padding schemes for arrays allocated in the GPU memory that optimize the performance of the CUBLAS implementations of the level 3 BLAS DGEMM and SGEMM subroutines for generalized matrix-matrix multiplications are described in detail. The analysis of the relative performance of the hybrid CPU/GPU and full GPU implementations indicate that the transfer of arrays between the GPU and CPU constitutes only a small fraction of the total computation time. The errors measured in the self-consistent density matrices computed using the SP2 algorithm are generally smaller than those measured in matrices computed via diagonalization. Furthermore, the errors in the density matrices computed using the SP2 algorithm do not exhibit any dependence of system size, whereas the errors increase linearly with the number of orbitals when diagonalization is employed.

Real-time optical flow estimation on a GPU for a skied-steered mobile robot

NASA Astrophysics Data System (ADS)

Kniaz, V. V.

2016-04-01

Accurate egomotion estimation is required for mobile robot navigation. Often the egomotion is estimated using optical flow algorithms. For an accurate estimation of optical flow most of modern algorithms require high memory resources and processor speed. However simple single-board computers that control the motion of the robot usually do not provide such resources. On the other hand, most of modern single-board computers are equipped with an embedded GPU that could be used in parallel with a CPU to improve the performance of the optical flow estimation algorithm. This paper presents a new Z-flow algorithm for efficient computation of an optical flow using an embedded GPU. The algorithm is based on the phase correlation optical flow estimation and provide a real-time performance on a low cost embedded GPU. The layered optical flow model is used. Layer segmentation is performed using graph-cut algorithm with a time derivative based energy function. Such approach makes the algorithm both fast and robust in low light and low texture conditions. The algorithm implementation for a Raspberry Pi Model B computer is discussed. For evaluation of the algorithm the computer was mounted on a Hercules mobile skied-steered robot equipped with a monocular camera. The evaluation was performed using a hardware-in-the-loop simulation and experiments with Hercules mobile robot. Also the algorithm was evaluated using KITTY Optical Flow 2015 dataset. The resulting endpoint error of the optical flow calculated with the developed algorithm was low enough for navigation of the robot along the desired trajectory.

SU-E-I-37: Low-Dose Real-Time Region-Of-Interest X-Ray Fluoroscopic Imaging with a GPU-Accelerated Spatially Different Bilateral Filtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chung, H; Lee, J; Pua, R

2014-06-01

Purpose: The purpose of our study is to reduce imaging radiation dose while maintaining image quality of region of interest (ROI) in X-ray fluoroscopy. A low-dose real-time ROI fluoroscopic imaging technique which includes graphics-processing-unit- (GPU-) accelerated image processing for brightness compensation and noise filtering was developed in this study. Methods: In our ROI fluoroscopic imaging, a copper filter is placed in front of the X-ray tube. The filter contains a round aperture to reduce radiation dose to outside of the aperture. To equalize the brightness difference between inner and outer ROI regions, brightness compensation was performed by use of amore » simple weighting method that applies selectively to the inner ROI, the outer ROI, and the boundary zone. A bilateral filtering was applied to the images to reduce relatively high noise in the outer ROI images. To speed up the calculation of our technique for real-time application, the GPU-acceleration was applied to the image processing algorithm. We performed a dosimetric measurement using an ion-chamber dosimeter to evaluate the amount of radiation dose reduction. The reduction of calculation time compared to a CPU-only computation was also measured, and the assessment of image quality in terms of image noise and spatial resolution was conducted. Results: More than 80% of dose was reduced by use of the ROI filter. The reduction rate depended on the thickness of the filter and the size of ROI aperture. The image noise outside the ROI was remarkably reduced by the bilateral filtering technique. The computation time for processing each frame image was reduced from 3.43 seconds with single CPU to 9.85 milliseconds with GPU-acceleration. Conclusion: The proposed technique for X-ray fluoroscopy can substantially reduce imaging radiation dose to the patient while maintaining image quality particularly in the ROI region in real-time.« less