Scale Space for Camera Invariant Features.
Puig, Luis; Guerrero, José J; Daniilidis, Kostas
2014-09-01
In this paper we propose a new approach to compute the scale space of any central projection system, such as catadioptric, fisheye or conventional cameras. Since these systems can be explained using a unified model, the single parameter that defines each type of system is used to automatically compute the corresponding Riemannian metric. This metric, is combined with the partial differential equations framework on manifolds, allows us to compute the Laplace-Beltrami (LB) operator, enabling the computation of the scale space of any central projection system. Scale space is essential for the intrinsic scale selection and neighborhood description in features like SIFT. We perform experiments with synthetic and real images to validate the generalization of our approach to any central projection system. We compare our approach with the best-existing methods showing competitive results in all type of cameras: catadioptric, fisheye, and perspective.
Bringing the CMS distributed computing system into scalable operations
NASA Astrophysics Data System (ADS)
Belforte, S.; Fanfani, A.; Fisk, I.; Flix, J.; Hernández, J. M.; Kress, T.; Letts, J.; Magini, N.; Miccio, V.; Sciabà, A.
2010-04-01
Establishing efficient and scalable operations of the CMS distributed computing system critically relies on the proper integration, commissioning and scale testing of the data and workload management tools, the various computing workflows and the underlying computing infrastructure, located at more than 50 computing centres worldwide and interconnected by the Worldwide LHC Computing Grid. Computing challenges periodically undertaken by CMS in the past years with increasing scale and complexity have revealed the need for a sustained effort on computing integration and commissioning activities. The Processing and Data Access (PADA) Task Force was established at the beginning of 2008 within the CMS Computing Program with the mandate of validating the infrastructure for organized processing and user analysis including the sites and the workload and data management tools, validating the distributed production system by performing functionality, reliability and scale tests, helping sites to commission, configure and optimize the networking and storage through scale testing data transfers and data processing, and improving the efficiency of accessing data across the CMS computing system from global transfers to local access. This contribution reports on the tools and procedures developed by CMS for computing commissioning and scale testing as well as the improvements accomplished towards efficient, reliable and scalable computing operations. The activities include the development and operation of load generators for job submission and data transfers with the aim of stressing the experiment and Grid data management and workload management systems, site commissioning procedures and tools to monitor and improve site availability and reliability, as well as activities targeted to the commissioning of the distributed production, user analysis and monitoring systems.
A characterization of workflow management systems for extreme-scale applications
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ferreira da Silva, Rafael; Filgueira, Rosa; Pietri, Ilia
We present that the automation of the execution of computational tasks is at the heart of improving scientific productivity. Over the last years, scientific workflows have been established as an important abstraction that captures data processing and computation of large and complex scientific applications. By allowing scientists to model and express entire data processing steps and their dependencies, workflow management systems relieve scientists from the details of an application and manage its execution on a computational infrastructure. As the resource requirements of today’s computational and data science applications that process vast amounts of data keep increasing, there is a compellingmore » case for a new generation of advances in high-performance computing, commonly termed as extreme-scale computing, which will bring forth multiple challenges for the design of workflow applications and management systems. This paper presents a novel characterization of workflow management systems using features commonly associated with extreme-scale computing applications. We classify 15 popular workflow management systems in terms of workflow execution models, heterogeneous computing environments, and data access methods. Finally, the paper also surveys workflow applications and identifies gaps for future research on the road to extreme-scale workflows and management systems.« less
A characterization of workflow management systems for extreme-scale applications
Ferreira da Silva, Rafael; Filgueira, Rosa; Pietri, Ilia; ...
2017-02-16
We present that the automation of the execution of computational tasks is at the heart of improving scientific productivity. Over the last years, scientific workflows have been established as an important abstraction that captures data processing and computation of large and complex scientific applications. By allowing scientists to model and express entire data processing steps and their dependencies, workflow management systems relieve scientists from the details of an application and manage its execution on a computational infrastructure. As the resource requirements of today’s computational and data science applications that process vast amounts of data keep increasing, there is a compellingmore » case for a new generation of advances in high-performance computing, commonly termed as extreme-scale computing, which will bring forth multiple challenges for the design of workflow applications and management systems. This paper presents a novel characterization of workflow management systems using features commonly associated with extreme-scale computing applications. We classify 15 popular workflow management systems in terms of workflow execution models, heterogeneous computing environments, and data access methods. Finally, the paper also surveys workflow applications and identifies gaps for future research on the road to extreme-scale workflows and management systems.« less
From photons to big-data applications: terminating terabits
2016-01-01
Computer architectures have entered a watershed as the quantity of network data generated by user applications exceeds the data-processing capacity of any individual computer end-system. It will become impossible to scale existing computer systems while a gap grows between the quantity of networked data and the capacity for per system data processing. Despite this, the growth in demand in both task variety and task complexity continues unabated. Networked computer systems provide a fertile environment in which new applications develop. As networked computer systems become akin to infrastructure, any limitation upon the growth in capacity and capabilities becomes an important constraint of concern to all computer users. Considering a networked computer system capable of processing terabits per second, as a benchmark for scalability, we critique the state of the art in commodity computing, and propose a wholesale reconsideration in the design of computer architectures and their attendant ecosystem. Our proposal seeks to reduce costs, save power and increase performance in a multi-scale approach that has potential application from nanoscale to data-centre-scale computers. PMID:26809573
From photons to big-data applications: terminating terabits.
Zilberman, Noa; Moore, Andrew W; Crowcroft, Jon A
2016-03-06
Computer architectures have entered a watershed as the quantity of network data generated by user applications exceeds the data-processing capacity of any individual computer end-system. It will become impossible to scale existing computer systems while a gap grows between the quantity of networked data and the capacity for per system data processing. Despite this, the growth in demand in both task variety and task complexity continues unabated. Networked computer systems provide a fertile environment in which new applications develop. As networked computer systems become akin to infrastructure, any limitation upon the growth in capacity and capabilities becomes an important constraint of concern to all computer users. Considering a networked computer system capable of processing terabits per second, as a benchmark for scalability, we critique the state of the art in commodity computing, and propose a wholesale reconsideration in the design of computer architectures and their attendant ecosystem. Our proposal seeks to reduce costs, save power and increase performance in a multi-scale approach that has potential application from nanoscale to data-centre-scale computers. © 2016 The Authors.
Distributed intrusion detection system based on grid security model
NASA Astrophysics Data System (ADS)
Su, Jie; Liu, Yahui
2008-03-01
Grid computing has developed rapidly with the development of network technology and it can solve the problem of large-scale complex computing by sharing large-scale computing resource. In grid environment, we can realize a distributed and load balance intrusion detection system. This paper first discusses the security mechanism in grid computing and the function of PKI/CA in the grid security system, then gives the application of grid computing character in the distributed intrusion detection system (IDS) based on Artificial Immune System. Finally, it gives a distributed intrusion detection system based on grid security system that can reduce the processing delay and assure the detection rates.
The Case for Modular Redundancy in Large-Scale High Performance Computing Systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Engelmann, Christian; Ong, Hong Hoe; Scott, Stephen L
2009-01-01
Recent investigations into resilience of large-scale high-performance computing (HPC) systems showed a continuous trend of decreasing reliability and availability. Newly installed systems have a lower mean-time to failure (MTTF) and a higher mean-time to recover (MTTR) than their predecessors. Modular redundancy is being used in many mission critical systems today to provide for resilience, such as for aerospace and command \\& control systems. The primary argument against modular redundancy for resilience in HPC has always been that the capability of a HPC system, and respective return on investment, would be significantly reduced. We argue that modular redundancy can significantly increasemore » compute node availability as it removes the impact of scale from single compute node MTTR. We further argue that single compute nodes can be much less reliable, and therefore less expensive, and still be highly available, if their MTTR/MTTF ratio is maintained.« less
DIALOG: An executive computer program for linking independent programs
NASA Technical Reports Server (NTRS)
Glatt, C. R.; Hague, D. S.; Watson, D. A.
1973-01-01
A very large scale computer programming procedure called the DIALOG executive system was developed for the CDC 6000 series computers. The executive computer program, DIALOG, controls the sequence of execution and data management function for a library of independent computer programs. Communication of common information is accomplished by DIALOG through a dynamically constructed and maintained data base of common information. Each computer program maintains its individual identity and is unaware of its contribution to the large scale program. This feature makes any computer program a candidate for use with the DIALOG executive system. The installation and uses of the DIALOG executive system are described.
Multi-scale modeling in cell biology
Meier-Schellersheim, Martin; Fraser, Iain D. C.; Klauschen, Frederick
2009-01-01
Biomedical research frequently involves performing experiments and developing hypotheses that link different scales of biological systems such as, for instance, the scales of intracellular molecular interactions to the scale of cellular behavior and beyond to the behavior of cell populations. Computational modeling efforts that aim at exploring such multi-scale systems quantitatively with the help of simulations have to incorporate several different simulation techniques due to the different time and space scales involved. Here, we provide a non-technical overview of how different scales of experimental research can be combined with the appropriate computational modeling techniques. We also show that current modeling software permits building and simulating multi-scale models without having to become involved with the underlying technical details of computational modeling. PMID:20448808
Computing with scale-invariant neural representations
NASA Astrophysics Data System (ADS)
Howard, Marc; Shankar, Karthik
The Weber-Fechner law is perhaps the oldest quantitative relationship in psychology. Consider the problem of the brain representing a function f (x) . Different neurons have receptive fields that support different parts of the range, such that the ith neuron has a receptive field at xi. Weber-Fechner scaling refers to the finding that the width of the receptive field scales with xi as does the difference between the centers of adjacent receptive fields. Weber-Fechner scaling is exponentially resource-conserving. Neurophysiological evidence suggests that neural representations obey Weber-Fechner scaling in the visual system and perhaps other systems as well. We describe an optimality constraint that is solved by Weber-Fechner scaling, providing an information-theoretic rationale for this principle of neural coding. Weber-Fechner scaling can be generated within a mathematical framework using the Laplace transform. Within this framework, simple computations such as translation, correlation and cross-correlation can be accomplished. This framework can in principle be extended to provide a general computational language for brain-inspired cognitive computation on scale-invariant representations. Supported by NSF PHY 1444389 and the BU Initiative for the Physics and Mathematics of Neural Systems,.
Computer-Based Indexing on a Small Scale: Bibliography.
ERIC Educational Resources Information Center
Douglas, Kimberly; Wismer, Don
The 131 references on small scale computer-based indexing cited in this bibliography are subdivided as follows: general, general (computer), index structure, microforms, specific systems, KWIC KWAC KWOC, and thesauri. (RAA)
Linear static structural and vibration analysis on high-performance computers
NASA Technical Reports Server (NTRS)
Baddourah, M. A.; Storaasli, O. O.; Bostic, S. W.
1993-01-01
Parallel computers offer the oppurtunity to significantly reduce the computation time necessary to analyze large-scale aerospace structures. This paper presents algorithms developed for and implemented on massively-parallel computers hereafter referred to as Scalable High-Performance Computers (SHPC), for the most computationally intensive tasks involved in structural analysis, namely, generation and assembly of system matrices, solution of systems of equations and calculation of the eigenvalues and eigenvectors. Results on SHPC are presented for large-scale structural problems (i.e. models for High-Speed Civil Transport). The goal of this research is to develop a new, efficient technique which extends structural analysis to SHPC and makes large-scale structural analyses tractable.
Using a Dialogue System Based on Dialogue Maps for Computer Assisted Second Language Learning
ERIC Educational Resources Information Center
Choi, Sung-Kwon; Kwon, Oh-Woog; Kim, Young-Kil; Lee, Yunkeun
2016-01-01
In order to use dialogue systems for computer assisted second-language learning systems, one of the difficult issues in such systems is how to construct large-scale dialogue knowledge that matches the dialogue modelling of a dialogue system. This paper describes how we have accomplished the short-term construction of large-scale and…
NASA Astrophysics Data System (ADS)
Manfredi, Sabato
2016-06-01
Large-scale dynamic systems are becoming highly pervasive in their occurrence with applications ranging from system biology, environment monitoring, sensor networks, and power systems. They are characterised by high dimensionality, complexity, and uncertainty in the node dynamic/interactions that require more and more computational demanding methods for their analysis and control design, as well as the network size and node system/interaction complexity increase. Therefore, it is a challenging problem to find scalable computational method for distributed control design of large-scale networks. In this paper, we investigate the robust distributed stabilisation problem of large-scale nonlinear multi-agent systems (briefly MASs) composed of non-identical (heterogeneous) linear dynamical systems coupled by uncertain nonlinear time-varying interconnections. By employing Lyapunov stability theory and linear matrix inequality (LMI) technique, new conditions are given for the distributed control design of large-scale MASs that can be easily solved by the toolbox of MATLAB. The stabilisability of each node dynamic is a sufficient assumption to design a global stabilising distributed control. The proposed approach improves some of the existing LMI-based results on MAS by both overcoming their computational limits and extending the applicative scenario to large-scale nonlinear heterogeneous MASs. Additionally, the proposed LMI conditions are further reduced in terms of computational requirement in the case of weakly heterogeneous MASs, which is a common scenario in real application where the network nodes and links are affected by parameter uncertainties. One of the main advantages of the proposed approach is to allow to move from a centralised towards a distributed computing architecture so that the expensive computation workload spent to solve LMIs may be shared among processors located at the networked nodes, thus increasing the scalability of the approach than the network size. Finally, a numerical example shows the applicability of the proposed method and its advantage in terms of computational complexity when compared with the existing approaches.
The revolution in data gathering systems
NASA Technical Reports Server (NTRS)
Cambra, J. M.; Trover, W. F.
1975-01-01
Data acquisition systems used in NASA's wind tunnels from the 1950's through the present time are summarized as a baseline for assessing the impact of minicomputers and microcomputers on data acquisition and data processing. Emphasis is placed on the cyclic evolution in computer technology which transformed the central computer system, and finally the distributed computer system. Other developments discussed include: medium scale integration, large scale integration, combining the functions of data acquisition and control, and micro and minicomputers.
DOE Office of Scientific and Technical Information (OSTI.GOV)
NONE
SCALE--a modular code system for Standardized Computer Analyses Licensing Evaluation--has been developed by Oak Ridge National Laboratory at the request of the US Nuclear Regulatory Commission. The SCALE system utilizes well-established computer codes and methods within standard analysis sequences that (1) allow an input format designed for the occasional user and/or novice, (2) automated the data processing and coupling between modules, and (3) provide accurate and reliable results. System development has been directed at problem-dependent cross-section processing and analysis of criticality safety, shielding, heat transfer, and depletion/decay problems. Since the initial release of SCALE in 1980, the code system hasmore » been heavily used for evaluation of nuclear fuel facility and package designs. This revision documents Version 4.3 of the system.« less
Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers.
Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne
2018-01-01
State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems.
Extremely Scalable Spiking Neuronal Network Simulation Code: From Laptops to Exascale Computers
Jordan, Jakob; Ippen, Tammo; Helias, Moritz; Kitayama, Itaru; Sato, Mitsuhisa; Igarashi, Jun; Diesmann, Markus; Kunkel, Susanne
2018-01-01
State-of-the-art software tools for neuronal network simulations scale to the largest computing systems available today and enable investigations of large-scale networks of up to 10 % of the human cortex at a resolution of individual neurons and synapses. Due to an upper limit on the number of incoming connections of a single neuron, network connectivity becomes extremely sparse at this scale. To manage computational costs, simulation software ultimately targeting the brain scale needs to fully exploit this sparsity. Here we present a two-tier connection infrastructure and a framework for directed communication among compute nodes accounting for the sparsity of brain-scale networks. We demonstrate the feasibility of this approach by implementing the technology in the NEST simulation code and we investigate its performance in different scaling scenarios of typical network simulations. Our results show that the new data structures and communication scheme prepare the simulation kernel for post-petascale high-performance computing facilities without sacrificing performance in smaller systems. PMID:29503613
DIALOG: An executive computer program for linking independent programs
NASA Technical Reports Server (NTRS)
Glatt, C. R.; Hague, D. S.; Watson, D. A.
1973-01-01
A very large scale computer programming procedure called the DIALOG Executive System has been developed for the Univac 1100 series computers. The executive computer program, DIALOG, controls the sequence of execution and data management function for a library of independent computer programs. Communication of common information is accomplished by DIALOG through a dynamically constructed and maintained data base of common information. The unique feature of the DIALOG Executive System is the manner in which computer programs are linked. Each program maintains its individual identity and as such is unaware of its contribution to the large scale program. This feature makes any computer program a candidate for use with the DIALOG Executive System. The installation and use of the DIALOG Executive System are described at Johnson Space Center.
The large scale microelectronics Computer-Aided Design and Test (CADAT) system
NASA Technical Reports Server (NTRS)
Gould, J. M.
1978-01-01
The CADAT system consists of a number of computer programs written in FORTRAN that provide the capability to simulate, lay out, analyze, and create the artwork for large scale microelectronics. The function of each software component of the system is described with references to specific documentation for each software component.
ERIC Educational Resources Information Center
What Works Clearinghouse, 2014
2014-01-01
This study examined how using two different ways of displaying the solar system--a true-to-scale mode vs. an orrery mode--affected students' knowledge of astronomical concepts. Solar system displays were presented in a software application on a handheld tablet computer. In the true-to-scale mode, users navigated a simulated three-dimensional solar…
Cilfone, Nicholas A.; Kirschner, Denise E.; Linderman, Jennifer J.
2015-01-01
Biologically related processes operate across multiple spatiotemporal scales. For computational modeling methodologies to mimic this biological complexity, individual scale models must be linked in ways that allow for dynamic exchange of information across scales. A powerful methodology is to combine a discrete modeling approach, agent-based models (ABMs), with continuum models to form hybrid models. Hybrid multi-scale ABMs have been used to simulate emergent responses of biological systems. Here, we review two aspects of hybrid multi-scale ABMs: linking individual scale models and efficiently solving the resulting model. We discuss the computational choices associated with aspects of linking individual scale models while simultaneously maintaining model tractability. We demonstrate implementations of existing numerical methods in the context of hybrid multi-scale ABMs. Using an example model describing Mycobacterium tuberculosis infection, we show relative computational speeds of various combinations of numerical methods. Efficient linking and solution of hybrid multi-scale ABMs is key to model portability, modularity, and their use in understanding biological phenomena at a systems level. PMID:26366228
Li, Hui; Jin, Dan; Qiao, Fang; Chen, Jianchang; Gong, Jianping
Computed tomography coronary angiography, a key method for obtaining coronary artery images, is widely used to screen for coronary artery diseases due to its noninvasive nature. In China, 64-slice computed tomography systems are now the most common models. As factors that directly affect computed tomography performance, heart rate and rhythm control are regulated by the autonomic nervous system and are highly related to the emotional state of the patient. The aim of this prospective study is to use a pre-computed tomography scan Self-Rating Anxiety Scale assessment to analyze the effects of tension and anxiety on computed tomography coronary angiography success. Subjects aged 18-85 years who were planned to undergo computed tomography coronary angiography were enrolled; 1 to 2 h before the computed tomography scan, basic patient data (gender, age, heart rate at rest, and family history) and Self-Rating Anxiety Scale score were obtained. The same group of imaging department doctors, technicians, and nurses performed computed tomography coronary angiography for all the enrolled subjects and observed whether those subjects could finish the computed tomography coronary angiography scan and provide clear, diagnostically valuable images. Participants were divided into successful (obtained diagnostically useful coronary images) and unsuccessful groups. Basic data and Self-Rating Anxiety Scale scores were compared between the groups. The Self-Rating Anxiety Scale standard score of the successful group was lower than that of the unsuccessful group (P = 0.001). As the Self-Rating Anxiety Scale standard score rose, the success rate of computed tomography coronary angiography decreased. The Self-Rating Anxiety Scale score has a negative relationship with computed tomography coronary angiography success. Anxiety can be a disadvantage in computed tomography coronary angiography examination. The pre-computed tomography coronary angiography scan Self-Rating Anxiety Scale score may be a useful tool for assessing whether a computed tomography coronary angiography scan will be successful or not. © The Author(s) 2015.
On the Large-Scaling Issues of Cloud-based Applications for Earth Science Dat
NASA Astrophysics Data System (ADS)
Hua, H.
2016-12-01
Next generation science data systems are needed to address the incoming flood of data from new missions such as NASA's SWOT and NISAR where its SAR data volumes and data throughput rates are order of magnitude larger than present day missions. Existing missions, such as OCO-2, may also require high turn-around time for processing different science scenarios where on-premise and even traditional HPC computing environments may not meet the high processing needs. Additionally, traditional means of procuring hardware on-premise are already limited due to facilities capacity constraints for these new missions. Experiences have shown that to embrace efficient cloud computing approaches for large-scale science data systems requires more than just moving existing code to cloud environments. At large cloud scales, we need to deal with scaling and cost issues. We present our experiences on deploying multiple instances of our hybrid-cloud computing science data system (HySDS) to support large-scale processing of Earth Science data products. We will explore optimization approaches to getting best performance out of hybrid-cloud computing as well as common issues that will arise when dealing with large-scale computing. Novel approaches were utilized to do processing on Amazon's spot market, which can potentially offer 75%-90% costs savings but with an unpredictable computing environment based on market forces.
High-Resiliency and Auto-Scaling of Large-Scale Cloud Computing for OCO-2 L2 Full Physics Processing
NASA Astrophysics Data System (ADS)
Hua, H.; Manipon, G.; Starch, M.; Dang, L. B.; Southam, P.; Wilson, B. D.; Avis, C.; Chang, A.; Cheng, C.; Smyth, M.; McDuffie, J. L.; Ramirez, P.
2015-12-01
Next generation science data systems are needed to address the incoming flood of data from new missions such as SWOT and NISAR where data volumes and data throughput rates are order of magnitude larger than present day missions. Additionally, traditional means of procuring hardware on-premise are already limited due to facilities capacity constraints for these new missions. Existing missions, such as OCO-2, may also require high turn-around time for processing different science scenarios where on-premise and even traditional HPC computing environments may not meet the high processing needs. We present our experiences on deploying a hybrid-cloud computing science data system (HySDS) for the OCO-2 Science Computing Facility to support large-scale processing of their Level-2 full physics data products. We will explore optimization approaches to getting best performance out of hybrid-cloud computing as well as common issues that will arise when dealing with large-scale computing. Novel approaches were utilized to do processing on Amazon's spot market, which can potentially offer ~10X costs savings but with an unpredictable computing environment based on market forces. We will present how we enabled high-tolerance computing in order to achieve large-scale computing as well as operational cost savings.
On the impact of approximate computation in an analog DeSTIN architecture.
Young, Steven; Lu, Junjie; Holleman, Jeremy; Arel, Itamar
2014-05-01
Deep machine learning (DML) holds the potential to revolutionize machine learning by automating rich feature extraction, which has become the primary bottleneck of human engineering in pattern recognition systems. However, the heavy computational burden renders DML systems implemented on conventional digital processors impractical for large-scale problems. The highly parallel computations required to implement large-scale deep learning systems are well suited to custom hardware. Analog computation has demonstrated power efficiency advantages of multiple orders of magnitude relative to digital systems while performing nonideal computations. In this paper, we investigate typical error sources introduced by analog computational elements and their impact on system-level performance in DeSTIN--a compositional deep learning architecture. These inaccuracies are evaluated on a pattern classification benchmark, clearly demonstrating the robustness of the underlying algorithm to the errors introduced by analog computational elements. A clear understanding of the impacts of nonideal computations is necessary to fully exploit the efficiency of analog circuits.
Method and appartus for converting static in-ground vehicle scales into weigh-in-motion systems
Muhs, Jeffrey D.; Scudiere, Matthew B.; Jordan, John K.
2002-01-01
An apparatus and method for converting in-ground static weighing scales for vehicles to weigh-in-motion systems. The apparatus upon conversion includes the existing in-ground static scale, peripheral switches and an electronic module for automatic computation of the weight. By monitoring the velocity, tire position, axle spacing, and real time output from existing static scales as a vehicle drives over the scales, the system determines when an axle of a vehicle is on the scale at a given time, monitors the combined weight output from any given axle combination on the scale(s) at any given time, and from these measurements automatically computes the weight of each individual axle and gross vehicle weight by an integration, integration approximation, and/or signal averaging technique.
Quantum error correction in crossbar architectures
NASA Astrophysics Data System (ADS)
Helsen, Jonas; Steudtner, Mark; Veldhorst, Menno; Wehner, Stephanie
2018-07-01
A central challenge for the scaling of quantum computing systems is the need to control all qubits in the system without a large overhead. A solution for this problem in classical computing comes in the form of so-called crossbar architectures. Recently we made a proposal for a large-scale quantum processor (Li et al arXiv:1711.03807 (2017)) to be implemented in silicon quantum dots. This system features a crossbar control architecture which limits parallel single-qubit control, but allows the scheme to overcome control scaling issues that form a major hurdle to large-scale quantum computing systems. In this work, we develop a language that makes it possible to easily map quantum circuits to crossbar systems, taking into account their architecture and control limitations. Using this language we show how to map well known quantum error correction codes such as the planar surface and color codes in this limited control setting with only a small overhead in time. We analyze the logical error behavior of this surface code mapping for estimated experimental parameters of the crossbar system and conclude that logical error suppression to a level useful for real quantum computation is feasible.
Energy and time determine scaling in biological and computer designs
Bezerra, George; Edwards, Benjamin; Brown, James; Forrest, Stephanie
2016-01-01
Metabolic rate in animals and power consumption in computers are analogous quantities that scale similarly with size. We analyse vascular systems of mammals and on-chip networks of microprocessors, where natural selection and human engineering, respectively, have produced systems that minimize both energy dissipation and delivery times. Using a simple network model that simultaneously minimizes energy and time, our analysis explains empirically observed trends in the scaling of metabolic rate in mammals and power consumption and performance in microprocessors across several orders of magnitude in size. Just as the evolutionary transitions from unicellular to multicellular animals in biology are associated with shifts in metabolic scaling, our model suggests that the scaling of power and performance will change as computer designs transition to decentralized multi-core and distributed cyber-physical systems. More generally, a single energy–time minimization principle may govern the design of many complex systems that process energy, materials and information. This article is part of the themed issue ‘The major synthetic evolutionary transitions’. PMID:27431524
Energy and time determine scaling in biological and computer designs.
Moses, Melanie; Bezerra, George; Edwards, Benjamin; Brown, James; Forrest, Stephanie
2016-08-19
Metabolic rate in animals and power consumption in computers are analogous quantities that scale similarly with size. We analyse vascular systems of mammals and on-chip networks of microprocessors, where natural selection and human engineering, respectively, have produced systems that minimize both energy dissipation and delivery times. Using a simple network model that simultaneously minimizes energy and time, our analysis explains empirically observed trends in the scaling of metabolic rate in mammals and power consumption and performance in microprocessors across several orders of magnitude in size. Just as the evolutionary transitions from unicellular to multicellular animals in biology are associated with shifts in metabolic scaling, our model suggests that the scaling of power and performance will change as computer designs transition to decentralized multi-core and distributed cyber-physical systems. More generally, a single energy-time minimization principle may govern the design of many complex systems that process energy, materials and information.This article is part of the themed issue 'The major synthetic evolutionary transitions'. © 2016 The Author(s).
CPMIP: measurements of real computational performance of Earth system models in CMIP6
NASA Astrophysics Data System (ADS)
Balaji, Venkatramani; Maisonnave, Eric; Zadeh, Niki; Lawrence, Bryan N.; Biercamp, Joachim; Fladrich, Uwe; Aloisio, Giovanni; Benson, Rusty; Caubel, Arnaud; Durachta, Jeffrey; Foujols, Marie-Alice; Lister, Grenville; Mocavero, Silvia; Underwood, Seth; Wright, Garrett
2017-01-01
A climate model represents a multitude of processes on a variety of timescales and space scales: a canonical example of multi-physics multi-scale modeling. The underlying climate system is physically characterized by sensitive dependence on initial conditions, and natural stochastic variability, so very long integrations are needed to extract signals of climate change. Algorithms generally possess weak scaling and can be I/O and/or memory-bound. Such weak-scaling, I/O, and memory-bound multi-physics codes present particular challenges to computational performance. Traditional metrics of computational efficiency such as performance counters and scaling curves do not tell us enough about real sustained performance from climate models on different machines. They also do not provide a satisfactory basis for comparative information across models. codes present particular challenges to computational performance. We introduce a set of metrics that can be used for the study of computational performance of climate (and Earth system) models. These measures do not require specialized software or specific hardware counters, and should be accessible to anyone. They are independent of platform and underlying parallel programming models. We show how these metrics can be used to measure actually attained performance of Earth system models on different machines, and identify the most fruitful areas of research and development for performance engineering. codes present particular challenges to computational performance. We present results for these measures for a diverse suite of models from several modeling centers, and propose to use these measures as a basis for a CPMIP, a computational performance model intercomparison project (MIP).
The Australian Computational Earth Systems Simulator
NASA Astrophysics Data System (ADS)
Mora, P.; Muhlhaus, H.; Lister, G.; Dyskin, A.; Place, D.; Appelbe, B.; Nimmervoll, N.; Abramson, D.
2001-12-01
Numerical simulation of the physics and dynamics of the entire earth system offers an outstanding opportunity for advancing earth system science and technology but represents a major challenge due to the range of scales and physical processes involved, as well as the magnitude of the software engineering effort required. However, new simulation and computer technologies are bringing this objective within reach. Under a special competitive national funding scheme to establish new Major National Research Facilities (MNRF), the Australian government together with a consortium of Universities and research institutions have funded construction of the Australian Computational Earth Systems Simulator (ACcESS). The Simulator or computational virtual earth will provide the research infrastructure to the Australian earth systems science community required for simulations of dynamical earth processes at scales ranging from microscopic to global. It will consist of thematic supercomputer infrastructure and an earth systems simulation software system. The Simulator models and software will be constructed over a five year period by a multi-disciplinary team of computational scientists, mathematicians, earth scientists, civil engineers and software engineers. The construction team will integrate numerical simulation models (3D discrete elements/lattice solid model, particle-in-cell large deformation finite-element method, stress reconstruction models, multi-scale continuum models etc) with geophysical, geological and tectonic models, through advanced software engineering and visualization technologies. When fully constructed, the Simulator aims to provide the software and hardware infrastructure needed to model solid earth phenomena including global scale dynamics and mineralisation processes, crustal scale processes including plate tectonics, mountain building, interacting fault system dynamics, and micro-scale processes that control the geological, physical and dynamic behaviour of earth systems. ACcESS represents a part of Australia's contribution to the APEC Cooperation for Earthquake Simulation (ACES) international initiative. Together with other national earth systems science initiatives including the Japanese Earth Simulator and US General Earthquake Model projects, ACcESS aims to provide a driver for scientific advancement and technological breakthroughs including: quantum leaps in understanding of earth evolution at global, crustal, regional and microscopic scales; new knowledge of the physics of crustal fault systems required to underpin the grand challenge of earthquake prediction; new understanding and predictive capabilities of geological processes such as tectonics and mineralisation.
New Challenges in Computational Thermal Hydraulics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yadigaroglu, George; Lakehal, Djamel
New needs and opportunities drive the development of novel computational methods for the design and safety analysis of light water reactors (LWRs). Some new methods are likely to be three dimensional. Coupling is expected between system codes, computational fluid dynamics (CFD) modules, and cascades of computations at scales ranging from the macro- or system scale to the micro- or turbulence scales, with the various levels continuously exchanging information back and forth. The ISP-42/PANDA and the international SETH project provide opportunities for testing applications of single-phase CFD methods to LWR safety problems. Although industrial single-phase CFD applications are commonplace, computational multifluidmore » dynamics is still under development. However, first applications are appearing; the state of the art and its potential uses are discussed. The case study of condensation of steam/air mixtures injected from a downward-facing vent into a pool of water is a perfect illustration of a simulation cascade: At the top of the hierarchy of scales, system behavior can be modeled with a system code; at the central level, the volume-of-fluid method can be applied to predict large-scale bubbling behavior; at the bottom of the cascade, direct-contact condensation can be treated with direct numerical simulation, in which turbulent flow (in both the gas and the liquid), interfacial dynamics, and heat/mass transfer are directly simulated without resorting to models.« less
Opportunities for nonvolatile memory systems in extreme-scale high-performance computing
Vetter, Jeffrey S.; Mittal, Sparsh
2015-01-12
For extreme-scale high-performance computing systems, system-wide power consumption has been identified as one of the key constraints moving forward, where DRAM main memory systems account for about 30 to 50 percent of a node's overall power consumption. As the benefits of device scaling for DRAM memory slow, it will become increasingly difficult to keep memory capacities balanced with increasing computational rates offered by next-generation processors. However, several emerging memory technologies related to nonvolatile memory (NVM) devices are being investigated as an alternative for DRAM. Moving forward, NVM devices could offer solutions for HPC architectures. Researchers are investigating how to integratemore » these emerging technologies into future extreme-scale HPC systems and how to expose these capabilities in the software stack and applications. In addition, current results show several of these strategies could offer high-bandwidth I/O, larger main memory capacities, persistent data structures, and new approaches for application resilience and output postprocessing, such as transaction-based incremental checkpointing and in situ visualization, respectively.« less
Why build a virtual brain? Large-scale neural simulations as jump start for cognitive computing
NASA Astrophysics Data System (ADS)
Colombo, Matteo
2017-03-01
Despite the impressive amount of financial resources recently invested in carrying out large-scale brain simulations, it is controversial what the pay-offs are of pursuing this project. One idea is that from designing, building, and running a large-scale neural simulation, scientists acquire knowledge about the computational performance of the simulating system, rather than about the neurobiological system represented in the simulation. It has been claimed that this knowledge may usher in a new era of neuromorphic, cognitive computing systems. This study elucidates this claim and argues that the main challenge this era is facing is not the lack of biological realism. The challenge lies in identifying general neurocomputational principles for the design of artificial systems, which could display the robust flexibility characteristic of biological intelligence.
A Power Efficient Exaflop Computer Design for Global Cloud System Resolving Climate Models.
NASA Astrophysics Data System (ADS)
Wehner, M. F.; Oliker, L.; Shalf, J.
2008-12-01
Exascale computers would allow routine ensemble modeling of the global climate system at the cloud system resolving scale. Power and cost requirements of traditional architecture systems are likely to delay such capability for many years. We present an alternative route to the exascale using embedded processor technology to design a system optimized for ultra high resolution climate modeling. These power efficient processors, used in consumer electronic devices such as mobile phones, portable music players, cameras, etc., can be tailored to the specific needs of scientific computing. We project that a system capable of integrating a kilometer scale climate model a thousand times faster than real time could be designed and built in a five year time scale for US$75M with a power consumption of 3MW. This is cheaper, more power efficient and sooner than any other existing technology.
NASA Astrophysics Data System (ADS)
Vnukov, A. A.; Shershnev, M. B.
2018-01-01
The aim of this work is the software implementation of three image scaling algorithms using parallel computations, as well as the development of an application with a graphical user interface for the Windows operating system to demonstrate the operation of algorithms and to study the relationship between system performance, algorithm execution time and the degree of parallelization of computations. Three methods of interpolation were studied, formalized and adapted to scale images. The result of the work is a program for scaling images by different methods. Comparison of the quality of scaling by different methods is given.
A FRAMEWORK FOR FINE-SCALE COMPUTATIONAL FLUID DYNAMICS AIR QUALITY MODELING AND ANALYSIS
This paper discusses a framework for fine-scale CFD modeling that may be developed to complement the present Community Multi-scale Air Quality (CMAQ) modeling system which itself is a computational fluid dynamics model. A goal of this presentation is to stimulate discussions on w...
Interactive graphical computer-aided design system
NASA Technical Reports Server (NTRS)
Edge, T. M.
1975-01-01
System is used for design, layout, and modification of large-scale-integrated (LSI) metal-oxide semiconductor (MOS) arrays. System is structured around small computer which provides real-time support for graphics storage display unit with keyboard, slave display unit, hard copy unit, and graphics tablet for designer/computer interface.
Unit cell-based computer-aided manufacturing system for tissue engineering.
Kang, Hyun-Wook; Park, Jeong Hun; Kang, Tae-Yun; Seol, Young-Joon; Cho, Dong-Woo
2012-03-01
Scaffolds play an important role in the regeneration of artificial tissues or organs. A scaffold is a porous structure with a micro-scale inner architecture in the range of several to several hundreds of micrometers. Therefore, computer-aided construction of scaffolds should provide sophisticated functionality for porous structure design and a tool path generation strategy that can achieve micro-scale architecture. In this study, a new unit cell-based computer-aided manufacturing (CAM) system was developed for the automated design and fabrication of a porous structure with micro-scale inner architecture that can be applied to composite tissue regeneration. The CAM system was developed by first defining a data structure for the computing process of a unit cell representing a single pore structure. Next, an algorithm and software were developed and applied to construct porous structures with a single or multiple pore design using solid freeform fabrication technology and a 3D tooth/spine computer-aided design model. We showed that this system is quite feasible for the design and fabrication of a scaffold for tissue engineering.
eXascale PRogramming Environment and System Software (XPRESS)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chapman, Barbara; Gabriel, Edgar
Exascale systems, with a thousand times the compute capacity of today’s leading edge petascale computers, are expected to emerge during the next decade. Their software systems will need to facilitate the exploitation of exceptional amounts of concurrency in applications, and ensure that jobs continue to run despite the occurrence of system failures and other kinds of hard and soft errors. Adapting computations at runtime to cope with changes in the execution environment, as well as to improve power and performance characteristics, is likely to become the norm. As a result, considerable innovation is required to develop system support to meetmore » the needs of future computing platforms. The XPRESS project aims to develop and prototype a revolutionary software system for extreme-scale computing for both exascale and strongscaled problems. The XPRESS collaborative research project will advance the state-of-the-art in high performance computing and enable exascale computing for current and future DOE mission-critical applications and supporting systems. The goals of the XPRESS research project are to: A. enable exascale performance capability for DOE applications, both current and future, B. develop and deliver a practical computing system software X-stack, OpenX, for future practical DOE exascale computing systems, and C. provide programming methods and environments for effective means of expressing application and system software for portable exascale system execution.« less
Large scale systems : a study of computer organizations for air traffic control applications.
DOT National Transportation Integrated Search
1971-06-01
Based on current sizing estimates and tracking algorithms, some computer organizations applicable to future air traffic control computing systems are described and assessed. Hardware and software problem areas are defined and solutions are outlined.
Simulation Framework for Intelligent Transportation Systems
DOT National Transportation Integrated Search
1996-10-01
A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System. The simulator is designed for running on parellel computers and distributed (networked) computer systems, but ca...
NASA's Information Power Grid: Large Scale Distributed Computing and Data Management
NASA Technical Reports Server (NTRS)
Johnston, William E.; Vaziri, Arsi; Hinke, Tom; Tanner, Leigh Ann; Feiereisen, William J.; Thigpen, William; Tang, Harry (Technical Monitor)
2001-01-01
Large-scale science and engineering are done through the interaction of people, heterogeneous computing resources, information systems, and instruments, all of which are geographically and organizationally dispersed. The overall motivation for Grids is to facilitate the routine interactions of these resources in order to support large-scale science and engineering. Multi-disciplinary simulations provide a good example of a class of applications that are very likely to require aggregation of widely distributed computing, data, and intellectual resources. Such simulations - e.g. whole system aircraft simulation and whole system living cell simulation - require integrating applications and data that are developed by different teams of researchers frequently in different locations. The research team's are the only ones that have the expertise to maintain and improve the simulation code and/or the body of experimental data that drives the simulations. This results in an inherently distributed computing and data management environment.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Greene, N.M.; Petrie, L.M.; Westfall, R.M.
SCALE--a modular code system for Standardized Computer Analyses Licensing Evaluation--has been developed by Oak Ridge National Laboratory at the request of the US Nuclear Regulatory Commission. The SCALE system utilizes well-established computer codes and methods within standard analysis sequences that (1) allow an input format designed for the occasional user and/or novice, (2) automate the data processing and coupling between modules, and (3) provide accurate and reliable results. System development has been directed at problem-dependent cross-section processing and analysis of criticality safety, shielding, heat transfer, and depletion/decay problems. Since the initial release of SCALE in 1980, the code system hasmore » been heavily used for evaluation of nuclear fuel facility and package designs. This revision documents Version 4.2 of the system. The manual is divided into three volumes: Volume 1--for the control module documentation; Volume 2--for functional module documentation; and Volume 3--for documentation of the data libraries and subroutine libraries.« less
The science of visual analysis at extreme scale
NASA Astrophysics Data System (ADS)
Nowell, Lucy T.
2011-01-01
Driven by market forces and spanning the full spectrum of computational devices, computer architectures are changing in ways that present tremendous opportunities and challenges for data analysis and visual analytic technologies. Leadership-class high performance computing system will have as many as a million cores by 2020 and support 10 billion-way concurrency, while laptop computers are expected to have as many as 1,000 cores by 2015. At the same time, data of all types are increasing exponentially and automated analytic methods are essential for all disciplines. Many existing analytic technologies do not scale to make full use of current platforms and fewer still are likely to scale to the systems that will be operational by the end of this decade. Furthermore, on the new architectures and for data at extreme scales, validating the accuracy and effectiveness of analytic methods, including visual analysis, will be increasingly important.
Instructional Support Software System. Final Report.
ERIC Educational Resources Information Center
McDonnell Douglas Astronautics Co. - East, St. Louis, MO.
This report describes the development of the Instructional Support System (ISS), a large-scale, computer-based training system that supports both computer-assisted instruction and computer-managed instruction. Written in the Ada programming language, the ISS software package is designed to be machine independent. It is also grouped into functional…
A case study for cloud based high throughput analysis of NGS data using the globus genomics system
Bhuvaneshwar, Krithika; Sulakhe, Dinanath; Gauba, Robinder; ...
2015-01-01
Next generation sequencing (NGS) technologies produce massive amounts of data requiring a powerful computational infrastructure, high quality bioinformatics software, and skilled personnel to operate the tools. We present a case study of a practical solution to this data management and analysis challenge that simplifies terabyte scale data handling and provides advanced tools for NGS data analysis. These capabilities are implemented using the “Globus Genomics” system, which is an enhanced Galaxy workflow system made available as a service that offers users the capability to process and transfer data easily, reliably and quickly to address end-to-end NGS analysis requirements. The Globus Genomicsmore » system is built on Amazon's cloud computing infrastructure. The system takes advantage of elastic scaling of compute resources to run multiple workflows in parallel and it also helps meet the scale-out analysis needs of modern translational genomics research.« less
Construction of Orthonormal Wavelets Using Symbolic Algebraic Methods
NASA Astrophysics Data System (ADS)
Černá, Dana; Finěk, Václav
2009-09-01
Our contribution is concerned with the solution of nonlinear algebraic equations systems arising from the computation of scaling coefficients of orthonormal wavelets with compact support. Specifically Daubechies wavelets, symmlets, coiflets, and generalized coiflets. These wavelets are defined as a solution of equation systems which are partly linear and partly nonlinear. The idea of presented methods consists in replacing those equations for scaling coefficients by equations for scaling moments. It enables us to eliminate some quadratic conditions in the original system and then simplify it. The simplified system is solved with the aid of the Gröbner basis method. The advantage of our approach is that in some cases, it provides all possible solutions and these solutions can be computed to arbitrary precision. For small systems, we are even able to find explicit solutions. The computation was carried out by symbolic algebra software Maple.
A case study for cloud based high throughput analysis of NGS data using the globus genomics system
Bhuvaneshwar, Krithika; Sulakhe, Dinanath; Gauba, Robinder; Rodriguez, Alex; Madduri, Ravi; Dave, Utpal; Lacinski, Lukasz; Foster, Ian; Gusev, Yuriy; Madhavan, Subha
2014-01-01
Next generation sequencing (NGS) technologies produce massive amounts of data requiring a powerful computational infrastructure, high quality bioinformatics software, and skilled personnel to operate the tools. We present a case study of a practical solution to this data management and analysis challenge that simplifies terabyte scale data handling and provides advanced tools for NGS data analysis. These capabilities are implemented using the “Globus Genomics” system, which is an enhanced Galaxy workflow system made available as a service that offers users the capability to process and transfer data easily, reliably and quickly to address end-to-endNGS analysis requirements. The Globus Genomics system is built on Amazon 's cloud computing infrastructure. The system takes advantage of elastic scaling of compute resources to run multiple workflows in parallel and it also helps meet the scale-out analysis needs of modern translational genomics research. PMID:26925205
The computational challenges of Earth-system science.
O'Neill, Alan; Steenman-Clark, Lois
2002-06-15
The Earth system--comprising atmosphere, ocean, land, cryosphere and biosphere--is an immensely complex system, involving processes and interactions on a wide range of space- and time-scales. To understand and predict the evolution of the Earth system is one of the greatest challenges of modern science, with success likely to bring enormous societal benefits. High-performance computing, along with the wealth of new observational data, is revolutionizing our ability to simulate the Earth system with computer models that link the different components of the system together. There are, however, considerable scientific and technical challenges to be overcome. This paper will consider four of them: complexity, spatial resolution, inherent uncertainty and time-scales. Meeting these challenges requires a significant increase in the power of high-performance computers. The benefits of being able to make reliable predictions about the evolution of the Earth system should, on their own, amply repay this investment.
Large-scale neuromorphic computing systems
NASA Astrophysics Data System (ADS)
Furber, Steve
2016-10-01
Neuromorphic computing covers a diverse range of approaches to information processing all of which demonstrate some degree of neurobiological inspiration that differentiates them from mainstream conventional computing systems. The philosophy behind neuromorphic computing has its origins in the seminal work carried out by Carver Mead at Caltech in the late 1980s. This early work influenced others to carry developments forward, and advances in VLSI technology supported steady growth in the scale and capability of neuromorphic devices. Recently, a number of large-scale neuromorphic projects have emerged, taking the approach to unprecedented scales and capabilities. These large-scale projects are associated with major new funding initiatives for brain-related research, creating a sense that the time and circumstances are right for progress in our understanding of information processing in the brain. In this review we present a brief history of neuromorphic engineering then focus on some of the principal current large-scale projects, their main features, how their approaches are complementary and distinct, their advantages and drawbacks, and highlight the sorts of capabilities that each can deliver to neural modellers.
Sampling and Visualizing Creases with Scale-Space Particles
Kindlmann, Gordon L.; Estépar, Raúl San José; Smith, Stephen M.; Westin, Carl-Fredrik
2010-01-01
Particle systems have gained importance as a methodology for sampling implicit surfaces and segmented objects to improve mesh generation and shape analysis. We propose that particle systems have a significantly more general role in sampling structure from unsegmented data. We describe a particle system that computes samplings of crease features (i.e. ridges and valleys, as lines or surfaces) that effectively represent many anatomical structures in scanned medical data. Because structure naturally exists at a range of sizes relative to the image resolution, computer vision has developed the theory of scale-space, which considers an n-D image as an (n + 1)-D stack of images at different blurring levels. Our scale-space particles move through continuous four-dimensional scale-space according to spatial constraints imposed by the crease features, a particle-image energy that draws particles towards scales of maximal feature strength, and an inter-particle energy that controls sampling density in space and scale. To make scale-space practical for large three-dimensional data, we present a spline-based interpolation across scale from a small number of pre-computed blurrings at optimally selected scales. The configuration of the particle system is visualized with tensor glyphs that display information about the local Hessian of the image, and the scale of the particle. We use scale-space particles to sample the complex three-dimensional branching structure of airways in lung CT, and the major white matter structures in brain DTI. PMID:19834216
Multi-scale computational modeling of developmental biology.
Setty, Yaki
2012-08-01
Normal development of multicellular organisms is regulated by a highly complex process in which a set of precursor cells proliferate, differentiate and move, forming over time a functioning tissue. To handle their complexity, developmental systems can be studied over distinct scales. The dynamics of each scale is determined by the collective activity of entities at the scale below it. I describe a multi-scale computational approach for modeling developmental systems and detail the methodology through a synthetic example of a developmental system that retains key features of real developmental systems. I discuss the simulation of the system as it emerges from cross-scale and intra-scale interactions and describe how an in silico study can be carried out by modifying these interactions in a way that mimics in vivo experiments. I highlight biological features of the results through a comparison with findings in Caenorhabditis elegans germline development and finally discuss about the applications of the approach in real developmental systems and propose future extensions. The source code of the model of the synthetic developmental system can be found in www.wisdom.weizmann.ac.il/~yaki/MultiScaleModel. yaki.setty@gmail.com Supplementary data are available at Bioinformatics online.
Alsmadi, Othman M K; Abo-Hammour, Zaer S
2015-01-01
A robust computational technique for model order reduction (MOR) of multi-time-scale discrete systems (single input single output (SISO) and multi-input multioutput (MIMO)) is presented in this paper. This work is motivated by the singular perturbation of multi-time-scale systems where some specific dynamics may not have significant influence on the overall system behavior. The new approach is proposed using genetic algorithms (GA) with the advantage of obtaining a reduced order model, maintaining the exact dominant dynamics in the reduced order, and minimizing the steady state error. The reduction process is performed by obtaining an upper triangular transformed matrix of the system state matrix defined in state space representation along with the elements of B, C, and D matrices. The GA computational procedure is based on maximizing the fitness function corresponding to the response deviation between the full and reduced order models. The proposed computational intelligence MOR method is compared to recently published work on MOR techniques where simulation results show the potential and advantages of the new approach.
NASA Astrophysics Data System (ADS)
Zaveri, Mazad Shaheriar
The semiconductor/computer industry has been following Moore's law for several decades and has reaped the benefits in speed and density of the resultant scaling. Transistor density has reached almost one billion per chip, and transistor delays are in picoseconds. However, scaling has slowed down, and the semiconductor industry is now facing several challenges. Hybrid CMOS/nano technologies, such as CMOL, are considered as an interim solution to some of the challenges. Another potential architectural solution includes specialized architectures for applications/models in the intelligent computing domain, one aspect of which includes abstract computational models inspired from the neuro/cognitive sciences. Consequently in this dissertation, we focus on the hardware implementations of Bayesian Memory (BM), which is a (Bayesian) Biologically Inspired Computational Model (BICM). This model is a simplified version of George and Hawkins' model of the visual cortex, which includes an inference framework based on Judea Pearl's belief propagation. We then present a "hardware design space exploration" methodology for implementing and analyzing the (digital and mixed-signal) hardware for the BM. This particular methodology involves: analyzing the computational/operational cost and the related micro-architecture, exploring candidate hardware components, proposing various custom hardware architectures using both traditional CMOS and hybrid nanotechnology - CMOL, and investigating the baseline performance/price of these architectures. The results suggest that CMOL is a promising candidate for implementing a BM. Such implementations can utilize the very high density storage/computation benefits of these new nano-scale technologies much more efficiently; for example, the throughput per 858 mm2 (TPM) obtained for CMOL based architectures is 32 to 40 times better than the TPM for a CMOS based multiprocessor/multi-FPGA system, and almost 2000 times better than the TPM for a PC implementation. We later use this methodology to investigate the hardware implementations of cortex-scale spiking neural system, which is an approximate neural equivalent of BICM based cortex-scale system. The results of this investigation also suggest that CMOL is a promising candidate to implement such large-scale neuromorphic systems. In general, the assessment of such hypothetical baseline hardware architectures provides the prospects for building large-scale (mammalian cortex-scale) implementations of neuromorphic/Bayesian/intelligent systems using state-of-the-art and beyond state-of-the-art silicon structures.
Accelerating Large Scale Image Analyses on Parallel, CPU-GPU Equipped Systems
Teodoro, George; Kurc, Tahsin M.; Pan, Tony; Cooper, Lee A.D.; Kong, Jun; Widener, Patrick; Saltz, Joel H.
2014-01-01
The past decade has witnessed a major paradigm shift in high performance computing with the introduction of accelerators as general purpose processors. These computing devices make available very high parallel computing power at low cost and power consumption, transforming current high performance platforms into heterogeneous CPU-GPU equipped systems. Although the theoretical performance achieved by these hybrid systems is impressive, taking practical advantage of this computing power remains a very challenging problem. Most applications are still deployed to either GPU or CPU, leaving the other resource under- or un-utilized. In this paper, we propose, implement, and evaluate a performance aware scheduling technique along with optimizations to make efficient collaborative use of CPUs and GPUs on a parallel system. In the context of feature computations in large scale image analysis applications, our evaluations show that intelligently co-scheduling CPUs and GPUs can significantly improve performance over GPU-only or multi-core CPU-only approaches. PMID:25419545
NASA Astrophysics Data System (ADS)
Darema, F.
2016-12-01
InfoSymbiotics/DDDAS embodies the power of Dynamic Data Driven Applications Systems (DDDAS), a concept whereby an executing application model is dynamically integrated, in a feed-back loop, with the real-time data-acquisition and control components, as well as other data sources of the application system. Advanced capabilities can be created through such new computational approaches in modeling and simulations, and in instrumentation methods, and include: enhancing the accuracy of the application model; speeding-up the computation to allow faster and more comprehensive models of a system, and create decision support systems with the accuracy of full-scale simulations; in addition, the notion of controlling instrumentation processes by the executing application results in more efficient management of application-data and addresses challenges of how to architect and dynamically manage large sets of heterogeneous sensors and controllers, an advance over the static and ad-hoc ways of today - with DDDAS these sets of resources can be managed adaptively and in optimized ways. Large-Scale-Dynamic-Data encompasses the next wave of Big Data, and namely dynamic data arising from ubiquitous sensing and control in engineered, natural, and societal systems, through multitudes of heterogeneous sensors and controllers instrumenting these systems, and where opportunities and challenges at these "large-scales" relate not only to data size but the heterogeneity in data, data collection modalities, fidelities, and timescales, ranging from real-time data to archival data. In tandem with this important dimension of dynamic data, there is an extended view of Big Computing, which includes the collective computing by networked assemblies of multitudes of sensors and controllers, this range from the high-end to the real-time seamlessly integrated and unified, and comprising the Large-Scale-Big-Computing. InfoSymbiotics/DDDAS engenders transformative impact in many application domains, ranging from the nano-scale to the terra-scale and to the extra-terra-scale. The talk will address opportunities for new capabilities together with corresponding research challenges, with illustrative examples from several application areas including environmental sciences, geosciences, and space sciences.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chiang, Patrick
2014-01-31
The research goal of this CAREER proposal is to develop energy-efficient, VLSI interconnect circuits and systems that will facilitate future massively-parallel, high-performance computing. Extreme-scale computing will exhibit massive parallelism on multiple vertical levels, from thou sands of computational units on a single processor to thousands of processors in a single data center. Unfortunately, the energy required to communicate between these units at every level (on chip, off-chip, off-rack) will be the critical limitation to energy efficiency. Therefore, the PI's career goal is to become a leading researcher in the design of energy-efficient VLSI interconnect for future computing systems.
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.
The future of scientific workflows
DOE Office of Scientific and Technical Information (OSTI.GOV)
Deelman, Ewa; Peterka, Tom; Altintas, Ilkay
Today’s computational, experimental, and observational sciences rely on computations that involve many related tasks. The success of a scientific mission often hinges on the computer automation of these workflows. In April 2015, the US Department of Energy (DOE) invited a diverse group of domain and computer scientists from national laboratories supported by the Office of Science, the National Nuclear Security Administration, from industry, and from academia to review the workflow requirements of DOE’s science and national security missions, to assess the current state of the art in science workflows, to understand the impact of emerging extreme-scale computing systems on thosemore » workflows, and to develop requirements for automated workflow management in future and existing environments. This article is a summary of the opinions of over 50 leading researchers attending this workshop. We highlight use cases, computing systems, workflow needs and conclude by summarizing the remaining challenges this community sees that inhibit large-scale scientific workflows from becoming a mainstream tool for extreme-scale science.« less
Planetary Waves and Mesoscale Disturbances in the Middle and Upper Atmosphere
1998-05-14
processing of ionogram records made us to begin designing a computer - controlled system to collect, store, display and scale the ionograms in digital...circuit board " L - 154". L - 154 passed signals from the re- ceiver and the system of the control to computer in order to collect in for motion...the main purpose of the PSMOS project is the establishment of a ground-based mesopause observing system for the investigation of planetary scale
Future in biomolecular computation
NASA Astrophysics Data System (ADS)
Wimmer, E.
1988-01-01
Large-scale computations for biomolecules are dominated by three levels of theory: rigorous quantum mechanical calculations for molecules with up to about 30 atoms, semi-empirical quantum mechanical calculations for systems with up to several hundred atoms, and force-field molecular dynamics studies of biomacromolecules with 10,000 atoms and more including surrounding solvent molecules. It can be anticipated that increased computational power will allow the treatment of larger systems of ever growing complexity. Due to the scaling of the computational requirements with increasing number of atoms, the force-field approaches will benefit the most from increased computational power. On the other hand, progress in methodologies such as density functional theory will enable us to treat larger systems on a fully quantum mechanical level and a combination of molecular dynamics and quantum mechanics can be envisioned. One of the greatest challenges in biomolecular computation is the protein folding problem. It is unclear at this point, if an approach with current methodologies will lead to a satisfactory answer or if unconventional, new approaches will be necessary. In any event, due to the complexity of biomolecular systems, a hierarchy of approaches will have to be established and used in order to capture the wide ranges of length-scales and time-scales involved in biological processes. In terms of hardware development, speed and power of computers will increase while the price/performance ratio will become more and more favorable. Parallelism can be anticipated to become an integral architectural feature in a range of computers. It is unclear at this point, how fast massively parallel systems will become easy enough to use so that new methodological developments can be pursued on such computers. Current trends show that distributed processing such as the combination of convenient graphics workstations and powerful general-purpose supercomputers will lead to a new style of computing in which the calculations are monitored and manipulated as they proceed. The combination of a numeric approach with artificial-intelligence approaches can be expected to open up entirely new possibilities. Ultimately, the most exciding aspect of the future in biomolecular computing will be the unexpected discoveries.
Sign: large-scale gene network estimation environment for high performance computing.
Tamada, Yoshinori; Shimamura, Teppei; Yamaguchi, Rui; Imoto, Seiya; Nagasaki, Masao; Miyano, Satoru
2011-01-01
Our research group is currently developing software for estimating large-scale gene networks from gene expression data. The software, called SiGN, is specifically designed for the Japanese flagship supercomputer "K computer" which is planned to achieve 10 petaflops in 2012, and other high performance computing environments including Human Genome Center (HGC) supercomputer system. SiGN is a collection of gene network estimation software with three different sub-programs: SiGN-BN, SiGN-SSM and SiGN-L1. In these three programs, five different models are available: static and dynamic nonparametric Bayesian networks, state space models, graphical Gaussian models, and vector autoregressive models. All these models require a huge amount of computational resources for estimating large-scale gene networks and therefore are designed to be able to exploit the speed of 10 petaflops. The software will be available freely for "K computer" and HGC supercomputer system users. The estimated networks can be viewed and analyzed by Cell Illustrator Online and SBiP (Systems Biology integrative Pipeline). The software project web site is available at http://sign.hgc.jp/ .
Large-scale high-throughput computer-aided discovery of advanced materials using cloud computing
NASA Astrophysics Data System (ADS)
Bazhirov, Timur; Mohammadi, Mohammad; Ding, Kevin; Barabash, Sergey
Recent advances in cloud computing made it possible to access large-scale computational resources completely on-demand in a rapid and efficient manner. When combined with high fidelity simulations, they serve as an alternative pathway to enable computational discovery and design of new materials through large-scale high-throughput screening. Here, we present a case study for a cloud platform implemented at Exabyte Inc. We perform calculations to screen lightweight ternary alloys for thermodynamic stability. Due to the lack of experimental data for most such systems, we rely on theoretical approaches based on first-principle pseudopotential density functional theory. We calculate the formation energies for a set of ternary compounds approximated by special quasirandom structures. During an example run we were able to scale to 10,656 CPUs within 7 minutes from the start, and obtain results for 296 compounds within 38 hours. The results indicate that the ultimate formation enthalpy of ternary systems can be negative for some of lightweight alloys, including Li and Mg compounds. We conclude that compared to traditional capital-intensive approach that requires in on-premises hardware resources, cloud computing is agile and cost-effective, yet scalable and delivers similar performance.
Using Agent Base Models to Optimize Large Scale Network for Large System Inventories
NASA Technical Reports Server (NTRS)
Shameldin, Ramez Ahmed; Bowling, Shannon R.
2010-01-01
The aim of this paper is to use Agent Base Models (ABM) to optimize large scale network handling capabilities for large system inventories and to implement strategies for the purpose of reducing capital expenses. The models used in this paper either use computational algorithms or procedure implementations developed by Matlab to simulate agent based models in a principal programming language and mathematical theory using clusters, these clusters work as a high performance computational performance to run the program in parallel computational. In both cases, a model is defined as compilation of a set of structures and processes assumed to underlie the behavior of a network system.
Approaches for scalable modeling and emulation of cyber systems : LDRD final report.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mayo, Jackson R.; Minnich, Ronald G.; Armstrong, Robert C.
2009-09-01
The goal of this research was to combine theoretical and computational approaches to better understand the potential emergent behaviors of large-scale cyber systems, such as networks of {approx} 10{sup 6} computers. The scale and sophistication of modern computer software, hardware, and deployed networked systems have significantly exceeded the computational research community's ability to understand, model, and predict current and future behaviors. This predictive understanding, however, is critical to the development of new approaches for proactively designing new systems or enhancing existing systems with robustness to current and future cyber threats, including distributed malware such as botnets. We have developed preliminarymore » theoretical and modeling capabilities that can ultimately answer questions such as: How would we reboot the Internet if it were taken down? Can we change network protocols to make them more secure without disrupting existing Internet connectivity and traffic flow? We have begun to address these issues by developing new capabilities for understanding and modeling Internet systems at scale. Specifically, we have addressed the need for scalable network simulation by carrying out emulations of a network with {approx} 10{sup 6} virtualized operating system instances on a high-performance computing cluster - a 'virtual Internet'. We have also explored mappings between previously studied emergent behaviors of complex systems and their potential cyber counterparts. Our results provide foundational capabilities for further research toward understanding the effects of complexity in cyber systems, to allow anticipating and thwarting hackers.« less
Applications of large-scale density functional theory in biology
NASA Astrophysics Data System (ADS)
Cole, Daniel J.; Hine, Nicholas D. M.
2016-10-01
Density functional theory (DFT) has become a routine tool for the computation of electronic structure in the physics, materials and chemistry fields. Yet the application of traditional DFT to problems in the biological sciences is hindered, to a large extent, by the unfavourable scaling of the computational effort with system size. Here, we review some of the major software and functionality advances that enable insightful electronic structure calculations to be performed on systems comprising many thousands of atoms. We describe some of the early applications of large-scale DFT to the computation of the electronic properties and structure of biomolecules, as well as to paradigmatic problems in enzymology, metalloproteins, photosynthesis and computer-aided drug design. With this review, we hope to demonstrate that first principles modelling of biological structure-function relationships are approaching a reality.
Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations
NASA Astrophysics Data System (ADS)
Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.
2016-07-01
Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.
Distributed weighted least-squares estimation with fast convergence for large-scale systems.
Marelli, Damián Edgardo; Fu, Minyue
2015-01-01
In this paper we study a distributed weighted least-squares estimation problem for a large-scale system consisting of a network of interconnected sub-systems. Each sub-system is concerned with a subset of the unknown parameters and has a measurement linear in the unknown parameters with additive noise. The distributed estimation task is for each sub-system to compute the globally optimal estimate of its own parameters using its own measurement and information shared with the network through neighborhood communication. We first provide a fully distributed iterative algorithm to asymptotically compute the global optimal estimate. The convergence rate of the algorithm will be maximized using a scaling parameter and a preconditioning method. This algorithm works for a general network. For a network without loops, we also provide a different iterative algorithm to compute the global optimal estimate which converges in a finite number of steps. We include numerical experiments to illustrate the performances of the proposed methods.
NASA Astrophysics Data System (ADS)
Cao, Chao
2009-03-01
Nano-scale physical phenomena and processes, especially those in electronics, have drawn great attention in the past decade. Experiments have shown that electronic and transport properties of functionalized carbon nanotubes are sensitive to adsorption of gas molecules such as H2, NO2, and NH3. Similar measurements have also been performed to study adsorption of proteins on other semiconductor nano-wires. These experiments suggest that nano-scale systems can be useful for making future chemical and biological sensors. Aiming to understand the physical mechanisms underlying and governing property changes at nano-scale, we start off by investigating, via first-principles method, the electronic structure of Pd-CNT before and after hydrogen adsorption, and continue with coherent electronic transport using non-equilibrium Green’s function techniques combined with density functional theory. Once our results are fully analyzed they can be used to interpret and understand experimental data, with a few difficult issues to be addressed. Finally, we discuss a newly developed multi-scale computing architecture, OPAL, that coordinates simultaneous execution of multiple codes. Inspired by the capabilities of this computing framework, we present a scenario of future modeling and simulation of multi-scale, multi-physical processes.
Characteristic Energy Scales of Quantum Systems.
ERIC Educational Resources Information Center
Morgan, Michael J.; Jakovidis, Greg
1994-01-01
Provides a particle-in-a-box model to help students understand and estimate the magnitude of the characteristic energy scales of a number of quantum systems. Also discusses the mathematics involved with general computations. (MVL)
A direct-to-drive neural data acquisition system.
Kinney, Justin P; Bernstein, Jacob G; Meyer, Andrew J; Barber, Jessica B; Bolivar, Marti; Newbold, Bryan; Scholvin, Jorg; Moore-Kochlacs, Caroline; Wentz, Christian T; Kopell, Nancy J; Boyden, Edward S
2015-01-01
Driven by the increasing channel count of neural probes, there is much effort being directed to creating increasingly scalable electrophysiology data acquisition (DAQ) systems. However, all such systems still rely on personal computers for data storage, and thus are limited by the bandwidth and cost of the computers, especially as the scale of recording increases. Here we present a novel architecture in which a digital processor receives data from an analog-to-digital converter, and writes that data directly to hard drives, without the need for a personal computer to serve as an intermediary in the DAQ process. This minimalist architecture may support exceptionally high data throughput, without incurring costs to support unnecessary hardware and overhead associated with personal computers, thus facilitating scaling of electrophysiological recording in the future.
A direct-to-drive neural data acquisition system
Kinney, Justin P.; Bernstein, Jacob G.; Meyer, Andrew J.; Barber, Jessica B.; Bolivar, Marti; Newbold, Bryan; Scholvin, Jorg; Moore-Kochlacs, Caroline; Wentz, Christian T.; Kopell, Nancy J.; Boyden, Edward S.
2015-01-01
Driven by the increasing channel count of neural probes, there is much effort being directed to creating increasingly scalable electrophysiology data acquisition (DAQ) systems. However, all such systems still rely on personal computers for data storage, and thus are limited by the bandwidth and cost of the computers, especially as the scale of recording increases. Here we present a novel architecture in which a digital processor receives data from an analog-to-digital converter, and writes that data directly to hard drives, without the need for a personal computer to serve as an intermediary in the DAQ process. This minimalist architecture may support exceptionally high data throughput, without incurring costs to support unnecessary hardware and overhead associated with personal computers, thus facilitating scaling of electrophysiological recording in the future. PMID:26388740
Analysis Report for Exascale Storage Requirements for Scientific Data.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ruwart, Thomas M.
Over the next 10 years, the Department of Energy will be transitioning from Petascale to Exascale Computing resulting in data storage, networking, and infrastructure requirements to increase by three orders of magnitude. The technologies and best practices used today are the result of a relatively slow evolution of ancestral technologies developed in the 1950s and 1960s. These include magnetic tape, magnetic disk, networking, databases, file systems, and operating systems. These technologies will continue to evolve over the next 10 to 15 years on a reasonably predictable path. Experience with the challenges involved in transitioning these fundamental technologies from Terascale tomore » Petascale computing systems has raised questions about how these will scale another 3 or 4 orders of magnitude to meet the requirements imposed by Exascale computing systems. This report is focused on the most concerning scaling issues with data storage systems as they relate to High Performance Computing- and presents options for a path forward. Given the ability to store exponentially increasing amounts of data, far more advanced concepts and use of metadata will be critical to managing data in Exascale computing systems.« less
Computers in Electrical Engineering Education at Virginia Polytechnic Institute.
ERIC Educational Resources Information Center
Bennett, A. Wayne
1982-01-01
Discusses use of computers in Electrical Engineering (EE) at Virginia Polytechnic Institute. Topics include: departmental background, level of computing power using large scale systems, mini and microcomputers, use of digital logic trainers and analog/hybrid computers, comments on integrating computers into EE curricula, and computer use in…
ERIC Educational Resources Information Center
What Works Clearinghouse, 2014
2014-01-01
The 2014 study, "Conceptualizing Astronomical Scale: Virtual Simulations on Handheld Tablet Computers Reverse Misconceptions," examined the effects of using the true-to-scale (TTS) display mode versus the orrery display mode in the iPad's Solar Walk software application on students' knowledge of the Earth's place in the solar system. The…
Users matter : multi-agent systems model of high performance computing cluster users.
DOE Office of Scientific and Technical Information (OSTI.GOV)
North, M. J.; Hood, C. S.; Decision and Information Sciences
2005-01-01
High performance computing clusters have been a critical resource for computational science for over a decade and have more recently become integral to large-scale industrial analysis. Despite their well-specified components, the aggregate behavior of clusters is poorly understood. The difficulties arise from complicated interactions between cluster components during operation. These interactions have been studied by many researchers, some of whom have identified the need for holistic multi-scale modeling that simultaneously includes network level, operating system level, process level, and user level behaviors. Each of these levels presents its own modeling challenges, but the user level is the most complex duemore » to the adaptability of human beings. In this vein, there are several major user modeling goals, namely descriptive modeling, predictive modeling and automated weakness discovery. This study shows how multi-agent techniques were used to simulate a large-scale computing cluster at each of these levels.« less
Agent-Based Modeling in Molecular Systems Biology.
Soheilypour, Mohammad; Mofrad, Mohammad R K
2018-07-01
Molecular systems orchestrating the biology of the cell typically involve a complex web of interactions among various components and span a vast range of spatial and temporal scales. Computational methods have advanced our understanding of the behavior of molecular systems by enabling us to test assumptions and hypotheses, explore the effect of different parameters on the outcome, and eventually guide experiments. While several different mathematical and computational methods are developed to study molecular systems at different spatiotemporal scales, there is still a need for methods that bridge the gap between spatially-detailed and computationally-efficient approaches. In this review, we summarize the capabilities of agent-based modeling (ABM) as an emerging molecular systems biology technique that provides researchers with a new tool in exploring the dynamics of molecular systems/pathways in health and disease. © 2018 WILEY Periodicals, Inc.
Information Power Grid Posters
NASA Technical Reports Server (NTRS)
Vaziri, Arsi
2003-01-01
This document is a summary of the accomplishments of the Information Power Grid (IPG). Grids are an emerging technology that provide seamless and uniform access to the geographically dispersed, computational, data storage, networking, instruments, and software resources needed for solving large-scale scientific and engineering problems. The goal of the NASA IPG is to use NASA's remotely located computing and data system resources to build distributed systems that can address problems that are too large or complex for a single site. The accomplishments outlined in this poster presentation are: access to distributed data, IPG heterogeneous computing, integration of large-scale computing node into distributed environment, remote access to high data rate instruments,and exploratory grid environment.
Slow Invariant Manifolds in Chemically Reactive Systems
NASA Astrophysics Data System (ADS)
Paolucci, Samuel; Powers, Joseph M.
2006-11-01
The scientific design of practical gas phase combustion devices has come to rely on the use of mathematical models which include detailed chemical kinetics. Such models intrinsically admit a wide range of scales which renders their accurate numerical approximation difficult. Over the past decade, rational strategies, such as Intrinsic Low Dimensional Manifolds (ILDM) or Computational Singular Perturbations (CSP), for equilibrating fast time scale events have been successfully developed, though their computation can be challenging and their accuracy in most cases uncertain. Both are approximations to the preferable slow invariant manifold which best describes how the system evolves in the long time limit. Strategies for computing the slow invariant manifold are examined, and results are presented for practical combustion systems.
Ma, Li; Runesha, H Birali; Dvorkin, Daniel; Garbe, John R; Da, Yang
2008-01-01
Background Genome-wide association studies (GWAS) using single nucleotide polymorphism (SNP) markers provide opportunities to detect epistatic SNPs associated with quantitative traits and to detect the exact mode of an epistasis effect. Computational difficulty is the main bottleneck for epistasis testing in large scale GWAS. Results The EPISNPmpi and EPISNP computer programs were developed for testing single-locus and epistatic SNP effects on quantitative traits in GWAS, including tests of three single-locus effects for each SNP (SNP genotypic effect, additive and dominance effects) and five epistasis effects for each pair of SNPs (two-locus interaction, additive × additive, additive × dominance, dominance × additive, and dominance × dominance) based on the extended Kempthorne model. EPISNPmpi is the parallel computing program for epistasis testing in large scale GWAS and achieved excellent scalability for large scale analysis and portability for various parallel computing platforms. EPISNP is the serial computing program based on the EPISNPmpi code for epistasis testing in small scale GWAS using commonly available operating systems and computer hardware. Three serial computing utility programs were developed for graphical viewing of test results and epistasis networks, and for estimating CPU time and disk space requirements. Conclusion The EPISNPmpi parallel computing program provides an effective computing tool for epistasis testing in large scale GWAS, and the epiSNP serial computing programs are convenient tools for epistasis analysis in small scale GWAS using commonly available computer hardware. PMID:18644146
Computer Simulation and Modeling of CO2 Removal Systems for Exploration 2013-2014
NASA Technical Reports Server (NTRS)
Coker, R.; Knox, J.; Gomez, C.
2015-01-01
The Atmosphere Revitalization Recovery and Environmental Monitoring (ARREM) project was initiated in September of 2011 as part of the Advanced Exploration Systems (AES) program. Under the ARREM project and the follow-on Life Support Systems (LSS) project, testing of sub-scale and full-scale systems has been combined with multiphysics computer simulations for evaluation and optimization of subsystem approaches. In particular, this paper will describes the testing and 1-D modeling of the combined water desiccant and carbon dioxide sorbent subsystems of the carbon dioxide removal assembly (CDRA). The goal is a full system predictive model of CDRA to guide system optimization and development.
PANORAMA: An approach to performance modeling and diagnosis of extreme-scale workflows
DOE Office of Scientific and Technical Information (OSTI.GOV)
Deelman, Ewa; Carothers, Christopher; Mandal, Anirban
Here we report that computational science is well established as the third pillar of scientific discovery and is on par with experimentation and theory. However, as we move closer toward the ability to execute exascale calculations and process the ensuing extreme-scale amounts of data produced by both experiments and computations alike, the complexity of managing the compute and data analysis tasks has grown beyond the capabilities of domain scientists. Therefore, workflow management systems are absolutely necessary to ensure current and future scientific discoveries. A key research question for these workflow management systems concerns the performance optimization of complex calculation andmore » data analysis tasks. The central contribution of this article is a description of the PANORAMA approach for modeling and diagnosing the run-time performance of complex scientific workflows. This approach integrates extreme-scale systems testbed experimentation, structured analytical modeling, and parallel systems simulation into a comprehensive workflow framework called Pegasus for understanding and improving the overall performance of complex scientific workflows.« less
Distributed weighted least-squares estimation with fast convergence for large-scale systems☆
Marelli, Damián Edgardo; Fu, Minyue
2015-01-01
In this paper we study a distributed weighted least-squares estimation problem for a large-scale system consisting of a network of interconnected sub-systems. Each sub-system is concerned with a subset of the unknown parameters and has a measurement linear in the unknown parameters with additive noise. The distributed estimation task is for each sub-system to compute the globally optimal estimate of its own parameters using its own measurement and information shared with the network through neighborhood communication. We first provide a fully distributed iterative algorithm to asymptotically compute the global optimal estimate. The convergence rate of the algorithm will be maximized using a scaling parameter and a preconditioning method. This algorithm works for a general network. For a network without loops, we also provide a different iterative algorithm to compute the global optimal estimate which converges in a finite number of steps. We include numerical experiments to illustrate the performances of the proposed methods. PMID:25641976
PANORAMA: An approach to performance modeling and diagnosis of extreme-scale workflows
Deelman, Ewa; Carothers, Christopher; Mandal, Anirban; ...
2015-07-14
Here we report that computational science is well established as the third pillar of scientific discovery and is on par with experimentation and theory. However, as we move closer toward the ability to execute exascale calculations and process the ensuing extreme-scale amounts of data produced by both experiments and computations alike, the complexity of managing the compute and data analysis tasks has grown beyond the capabilities of domain scientists. Therefore, workflow management systems are absolutely necessary to ensure current and future scientific discoveries. A key research question for these workflow management systems concerns the performance optimization of complex calculation andmore » data analysis tasks. The central contribution of this article is a description of the PANORAMA approach for modeling and diagnosing the run-time performance of complex scientific workflows. This approach integrates extreme-scale systems testbed experimentation, structured analytical modeling, and parallel systems simulation into a comprehensive workflow framework called Pegasus for understanding and improving the overall performance of complex scientific workflows.« less
Real science at the petascale.
Saksena, Radhika S; Boghosian, Bruce; Fazendeiro, Luis; Kenway, Owain A; Manos, Steven; Mazzeo, Marco D; Sadiq, S Kashif; Suter, James L; Wright, David; Coveney, Peter V
2009-06-28
We describe computational science research that uses petascale resources to achieve scientific results at unprecedented scales and resolution. The applications span a wide range of domains, from investigation of fundamental problems in turbulence through computational materials science research to biomedical applications at the forefront of HIV/AIDS research and cerebrovascular haemodynamics. This work was mainly performed on the US TeraGrid 'petascale' resource, Ranger, at Texas Advanced Computing Center, in the first half of 2008 when it was the largest computing system in the world available for open scientific research. We have sought to use this petascale supercomputer optimally across application domains and scales, exploiting the excellent parallel scaling performance found on up to at least 32 768 cores for certain of our codes in the so-called 'capability computing' category as well as high-throughput intermediate-scale jobs for ensemble simulations in the 32-512 core range. Furthermore, this activity provides evidence that conventional parallel programming with MPI should be successful at the petascale in the short to medium term. We also report on the parallel performance of some of our codes on up to 65 636 cores on the IBM Blue Gene/P system at the Argonne Leadership Computing Facility, which has recently been named the fastest supercomputer in the world for open science.
High performance computing applications in neurobiological research
NASA Technical Reports Server (NTRS)
Ross, Muriel D.; Cheng, Rei; Doshay, David G.; Linton, Samuel W.; Montgomery, Kevin; Parnas, Bruce R.
1994-01-01
The human nervous system is a massively parallel processor of information. The vast numbers of neurons, synapses and circuits is daunting to those seeking to understand the neural basis of consciousness and intellect. Pervading obstacles are lack of knowledge of the detailed, three-dimensional (3-D) organization of even a simple neural system and the paucity of large scale, biologically relevant computer simulations. We use high performance graphics workstations and supercomputers to study the 3-D organization of gravity sensors as a prototype architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scale-up, three-dimensional versions run on the Cray Y-MP and CM5 supercomputers.
Performance/price estimates for cortex-scale hardware: a design space exploration.
Zaveri, Mazad S; Hammerstrom, Dan
2011-04-01
In this paper, we revisit the concept of virtualization. Virtualization is useful for understanding and investigating the performance/price and other trade-offs related to the hardware design space. Moreover, it is perhaps the most important aspect of a hardware design space exploration. Such a design space exploration is a necessary part of the study of hardware architectures for large-scale computational models for intelligent computing, including AI, Bayesian, bio-inspired and neural models. A methodical exploration is needed to identify potentially interesting regions in the design space, and to assess the relative performance/price points of these implementations. As an example, in this paper we investigate the performance/price of (digital and mixed-signal) CMOS and hypothetical CMOL (nanogrid) technology based hardware implementations of human cortex-scale spiking neural systems. Through this analysis, and the resulting performance/price points, we demonstrate, in general, the importance of virtualization, and of doing these kinds of design space explorations. The specific results suggest that hybrid nanotechnology such as CMOL is a promising candidate to implement very large-scale spiking neural systems, providing a more efficient utilization of the density and storage benefits of emerging nano-scale technologies. In general, we believe that the study of such hypothetical designs/architectures will guide the neuromorphic hardware community towards building large-scale systems, and help guide research trends in intelligent computing, and computer engineering. Copyright © 2010 Elsevier Ltd. All rights reserved.
The Computing and Data Grid Approach: Infrastructure for Distributed Science Applications
NASA Technical Reports Server (NTRS)
Johnston, William E.
2002-01-01
With the advent of Grids - infrastructure for using and managing widely distributed computing and data resources in the science environment - there is now an opportunity to provide a standard, large-scale, computing, data, instrument, and collaboration environment for science that spans many different projects and provides the required infrastructure and services in a relatively uniform and supportable way. Grid technology has evolved over the past several years to provide the services and infrastructure needed for building 'virtual' systems and organizations. We argue that Grid technology provides an excellent basis for the creation of the integrated environments that can combine the resources needed to support the large- scale science projects located at multiple laboratories and universities. We present some science case studies that indicate that a paradigm shift in the process of science will come about as a result of Grids providing transparent and secure access to advanced and integrated information and technologies infrastructure: powerful computing systems, large-scale data archives, scientific instruments, and collaboration tools. These changes will be in the form of services that can be integrated with the user's work environment, and that enable uniform and highly capable access to these computers, data, and instruments, regardless of the location or exact nature of these resources. These services will integrate transient-use resources like computing systems, scientific instruments, and data caches (e.g., as they are needed to perform a simulation or analyze data from a single experiment); persistent-use resources. such as databases, data catalogues, and archives, and; collaborators, whose involvement will continue for the lifetime of a project or longer. While we largely address large-scale science in this paper, Grids, particularly when combined with Web Services, will address a broad spectrum of science scenarios. both large and small scale.
Quantifying uncertainty and computational complexity for pore-scale simulations
NASA Astrophysics Data System (ADS)
Chen, C.; Yuan, Z.; Wang, P.; Yang, X.; Zhenyan, L.
2016-12-01
Pore-scale simulation is an essential tool to understand the complex physical process in many environmental problems, from multi-phase flow in the subsurface to fuel cells. However, in practice, factors such as sample heterogeneity, data sparsity and in general, our insufficient knowledge of the underlying process, render many simulation parameters and hence the prediction results uncertain. Meanwhile, most pore-scale simulations (in particular, direct numerical simulation) incur high computational cost due to finely-resolved spatio-temporal scales, which further limits our data/samples collection. To address those challenges, we propose a novel framework based on the general polynomial chaos (gPC) and build a surrogate model representing the essential features of the underlying system. To be specific, we apply the novel framework to analyze the uncertainties of the system behavior based on a series of pore-scale numerical experiments, such as flow and reactive transport in 2D heterogeneous porous media and 3D packed beds. Comparing with recent pore-scale uncertainty quantification studies using Monte Carlo techniques, our new framework requires fewer number of realizations and hence considerably reduce the overall computational cost, while maintaining the desired accuracy.
Traffic Simulations on Parallel Computers Using Domain Decomposition Techniques
DOT National Transportation Integrated Search
1995-01-01
Large scale simulations of Intelligent Transportation Systems (ITS) can only be acheived by using the computing resources offered by parallel computing architectures. Domain decomposition techniques are proposed which allow the performance of traffic...
DOE Office of Scientific and Technical Information (OSTI.GOV)
Trujillo, Angelina Michelle
Strategy, Planning, Acquiring- very large scale computing platforms come and go and planning for immensely scalable machines often precedes actual procurement by 3 years. Procurement can be another year or more. Integration- After Acquisition, machines must be integrated into the computing environments at LANL. Connection to scalable storage via large scale storage networking, assuring correct and secure operations. Management and Utilization – Ongoing operations, maintenance, and trouble shooting of the hardware and systems software at massive scale is required.
DOE Office of Scientific and Technical Information (OSTI.GOV)
2012-09-25
The Megatux platform enables the emulation of large scale (multi-million node) distributed systems. In particular, it allows for the emulation of large-scale networks interconnecting a very large number of emulated computer systems. It does this by leveraging virtualization and associated technologies to allow hundreds of virtual computers to be hosted on a single moderately sized server or workstation. Virtualization technology provided by modern processors allows for multiple guest OSs to run at the same time, sharing the hardware resources. The Megatux platform can be deployed on a single PC, a small cluster of a few boxes or a large clustermore » of computers. With a modest cluster, the Megatux platform can emulate complex organizational networks. By using virtualization, we emulate the hardware, but run actual software enabling large scale without sacrificing fidelity.« less
Parallel Computation of the Regional Ocean Modeling System (ROMS)
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, P; Song, Y T; Chao, Y
2005-04-05
The Regional Ocean Modeling System (ROMS) is a regional ocean general circulation modeling system solving the free surface, hydrostatic, primitive equations over varying topography. It is free software distributed world-wide for studying both complex coastal ocean problems and the basin-to-global scale ocean circulation. The original ROMS code could only be run on shared-memory systems. With the increasing need to simulate larger model domains with finer resolutions and on a variety of computer platforms, there is a need in the ocean-modeling community to have a ROMS code that can be run on any parallel computer ranging from 10 to hundreds ofmore » processors. Recently, we have explored parallelization for ROMS using the MPI programming model. In this paper, an efficient parallelization strategy for such a large-scale scientific software package, based on an existing shared-memory computing model, is presented. In addition, scientific applications and data-performance issues on a couple of SGI systems, including Columbia, the world's third-fastest supercomputer, are discussed.« less
Mathematical and Computational Challenges in Population Biology and Ecosystems Science
NASA Technical Reports Server (NTRS)
Levin, Simon A.; Grenfell, Bryan; Hastings, Alan; Perelson, Alan S.
1997-01-01
Mathematical and computational approaches provide powerful tools in the study of problems in population biology and ecosystems science. The subject has a rich history intertwined with the development of statistics and dynamical systems theory, but recent analytical advances, coupled with the enhanced potential of high-speed computation, have opened up new vistas and presented new challenges. Key challenges involve ways to deal with the collective dynamics of heterogeneous ensembles of individuals, and to scale from small spatial regions to large ones. The central issues-understanding how detail at one scale makes its signature felt at other scales, and how to relate phenomena across scales-cut across scientific disciplines and go to the heart of algorithmic development of approaches to high-speed computation. Examples are given from ecology, genetics, epidemiology, and immunology.
Coffland, Douglas R.
2006-04-25
A system for increasing the resolution in the far field resolution of video or still frame images, while maintaining full coverage in the near field. The system includes a camera connected to a computer. The computer applies a specific zooming scale factor to each of line of pixels and continuously increases the scale factor of the line of pixels from the bottom to the top to capture the scene in the near field, yet maintain resolution in the scene in the far field.
Architecture and Programming Models for High Performance Intensive Computation
2016-06-29
Applications Systems and Large-Scale-Big-Data & Large-Scale-Big-Computing (DDDAS- LS ). ICCS 2015, June 2015. Reykjavk, Ice- land. 2. Bo YT, Wang P, Guo ZL...The Mahali project,” Communications Magazine , vol. 52, pp. 111–133, Aug 2014. 14 DISTRIBUTION A: Distribution approved for public release. Response ID
Visual Analysis of Cloud Computing Performance Using Behavioral Lines.
Muelder, Chris; Zhu, Biao; Chen, Wei; Zhang, Hongxin; Ma, Kwan-Liu
2016-02-29
Cloud computing is an essential technology to Big Data analytics and services. A cloud computing system is often comprised of a large number of parallel computing and storage devices. Monitoring the usage and performance of such a system is important for efficient operations, maintenance, and security. Tracing every application on a large cloud system is untenable due to scale and privacy issues. But profile data can be collected relatively efficiently by regularly sampling the state of the system, including properties such as CPU load, memory usage, network usage, and others, creating a set of multivariate time series for each system. Adequate tools for studying such large-scale, multidimensional data are lacking. In this paper, we present a visual based analysis approach to understanding and analyzing the performance and behavior of cloud computing systems. Our design is based on similarity measures and a layout method to portray the behavior of each compute node over time. When visualizing a large number of behavioral lines together, distinct patterns often appear suggesting particular types of performance bottleneck. The resulting system provides multiple linked views, which allow the user to interactively explore the data by examining the data or a selected subset at different levels of detail. Our case studies, which use datasets collected from two different cloud systems, show that this visual based approach is effective in identifying trends and anomalies of the systems.
Scalable Parameter Estimation for Genome-Scale Biochemical Reaction Networks
Kaltenbacher, Barbara; Hasenauer, Jan
2017-01-01
Mechanistic mathematical modeling of biochemical reaction networks using ordinary differential equation (ODE) models has improved our understanding of small- and medium-scale biological processes. While the same should in principle hold for large- and genome-scale processes, the computational methods for the analysis of ODE models which describe hundreds or thousands of biochemical species and reactions are missing so far. While individual simulations are feasible, the inference of the model parameters from experimental data is computationally too intensive. In this manuscript, we evaluate adjoint sensitivity analysis for parameter estimation in large scale biochemical reaction networks. We present the approach for time-discrete measurement and compare it to state-of-the-art methods used in systems and computational biology. Our comparison reveals a significantly improved computational efficiency and a superior scalability of adjoint sensitivity analysis. The computational complexity is effectively independent of the number of parameters, enabling the analysis of large- and genome-scale models. Our study of a comprehensive kinetic model of ErbB signaling shows that parameter estimation using adjoint sensitivity analysis requires a fraction of the computation time of established methods. The proposed method will facilitate mechanistic modeling of genome-scale cellular processes, as required in the age of omics. PMID:28114351
Computational singular perturbation analysis of stochastic chemical systems with stiffness
NASA Astrophysics Data System (ADS)
Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; Najm, Habib N.
2017-04-01
Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to not only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. The algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.
Mathematics, Information, and Life Sciences
2012-03-05
INS • Chip -scale atomic clocks • Ad hoc networks • Polymorphic networks • Agile networks • Laser communications • Frequency-agile RF systems...FY12 BAA Bionavigation (Bio) Neuromorphic Computing (Human) Multi-scale Modeling (Math) Foundations of Information Systems (Info) BRI
The Application of Large-Scale Hypermedia Information Systems to Training.
ERIC Educational Resources Information Center
Crowder, Richard; And Others
1995-01-01
Discusses the use of hypermedia in electronic information systems that support maintenance operations in large-scale industrial plants. Findings show that after establishing an information system, the same resource base can be used to train personnel how to use the computer system and how to perform operational and maintenance tasks. (Author/JMV)
NASA Astrophysics Data System (ADS)
Lin, Y.; O'Malley, D.; Vesselinov, V. V.
2015-12-01
Inverse modeling seeks model parameters given a set of observed state variables. However, for many practical problems due to the facts that the observed data sets are often large and model parameters are often numerous, conventional methods for solving the inverse modeling can be computationally expensive. We have developed a new, computationally-efficient Levenberg-Marquardt method for solving large-scale inverse modeling. Levenberg-Marquardt methods require the solution of a dense linear system of equations which can be prohibitively expensive to compute for large-scale inverse problems. Our novel method projects the original large-scale linear problem down to a Krylov subspace, such that the dimensionality of the measurements can be significantly reduced. Furthermore, instead of solving the linear system for every Levenberg-Marquardt damping parameter, we store the Krylov subspace computed when solving the first damping parameter and recycle it for all the following damping parameters. The efficiency of our new inverse modeling algorithm is significantly improved by using these computational techniques. We apply this new inverse modeling method to invert for a random transitivity field. Our algorithm is fast enough to solve for the distributed model parameters (transitivity) at each computational node in the model domain. The inversion is also aided by the use regularization techniques. The algorithm is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. By comparing with a Levenberg-Marquardt method using standard linear inversion techniques, our Levenberg-Marquardt method yields speed-up ratio of 15 in a multi-core computational environment and a speed-up ratio of 45 in a single-core computational environment. Therefore, our new inverse modeling method is a powerful tool for large-scale applications.
Lee, Jae H.; Yao, Yushu; Shrestha, Uttam; Gullberg, Grant T.; Seo, Youngho
2014-01-01
The primary goal of this project is to implement the iterative statistical image reconstruction algorithm, in this case maximum likelihood expectation maximum (MLEM) used for dynamic cardiac single photon emission computed tomography, on Spark/GraphX. This involves porting the algorithm to run on large-scale parallel computing systems. Spark is an easy-to- program software platform that can handle large amounts of data in parallel. GraphX is a graph analytic system running on top of Spark to handle graph and sparse linear algebra operations in parallel. The main advantage of implementing MLEM algorithm in Spark/GraphX is that it allows users to parallelize such computation without any expertise in parallel computing or prior knowledge in computer science. In this paper we demonstrate a successful implementation of MLEM in Spark/GraphX and present the performance gains with the goal to eventually make it useable in clinical setting. PMID:27081299
Lee, Jae H; Yao, Yushu; Shrestha, Uttam; Gullberg, Grant T; Seo, Youngho
2014-11-01
The primary goal of this project is to implement the iterative statistical image reconstruction algorithm, in this case maximum likelihood expectation maximum (MLEM) used for dynamic cardiac single photon emission computed tomography, on Spark/GraphX. This involves porting the algorithm to run on large-scale parallel computing systems. Spark is an easy-to- program software platform that can handle large amounts of data in parallel. GraphX is a graph analytic system running on top of Spark to handle graph and sparse linear algebra operations in parallel. The main advantage of implementing MLEM algorithm in Spark/GraphX is that it allows users to parallelize such computation without any expertise in parallel computing or prior knowledge in computer science. In this paper we demonstrate a successful implementation of MLEM in Spark/GraphX and present the performance gains with the goal to eventually make it useable in clinical setting.
High Performance Computing for Modeling Wind Farms and Their Impact
NASA Astrophysics Data System (ADS)
Mavriplis, D.; Naughton, J. W.; Stoellinger, M. K.
2016-12-01
As energy generated by wind penetrates further into our electrical system, modeling of power production, power distribution, and the economic impact of wind-generated electricity is growing in importance. The models used for this work can range in fidelity from simple codes that run on a single computer to those that require high performance computing capabilities. Over the past several years, high fidelity models have been developed and deployed on the NCAR-Wyoming Supercomputing Center's Yellowstone machine. One of the primary modeling efforts focuses on developing the capability to compute the behavior of a wind farm in complex terrain under realistic atmospheric conditions. Fully modeling this system requires the simulation of continental flows to modeling the flow over a wind turbine blade, including down to the blade boundary level, fully 10 orders of magnitude in scale. To accomplish this, the simulations are broken up by scale, with information from the larger scales being passed to the lower scale models. In the code being developed, four scale levels are included: the continental weather scale, the local atmospheric flow in complex terrain, the wind plant scale, and the turbine scale. The current state of the models in the latter three scales will be discussed. These simulations are based on a high-order accurate dynamic overset and adaptive mesh approach, which runs at large scale on the NWSC Yellowstone machine. A second effort on modeling the economic impact of new wind development as well as improvement in wind plant performance and enhancements to the transmission infrastructure will also be discussed.
Chip-scale sensor system integration for portable health monitoring.
Jokerst, Nan M; Brooke, Martin A; Cho, Sang-Yeon; Shang, Allan B
2007-12-01
The revolution in integrated circuits over the past 50 yr has produced inexpensive computing and communications systems that are powerful and portable. The technologies for these integrated chip-scale sensing systems, which will be miniature, lightweight, and portable, are emerging with the integration of sensors with electronics, optical systems, micromachines, microfluidics, and the integration of chemical and biological materials (soft/wet material integration with traditional dry/hard semiconductor materials). Hence, we stand at a threshold for health monitoring technology that promises to provide wearable biochemical sensing systems that are comfortable, inauspicious, wireless, and battery-operated, yet that continuously monitor health status, and can transmit compressed data signals at regular intervals, or alarm conditions immediately. In this paper, we explore recent results in chip-scale sensor integration technology for health monitoring. The development of inexpensive chip-scale biochemical optical sensors, such as microresonators, that are customizable for high sensitivity coupled with rapid prototyping will be discussed. Ground-breaking work in the integration of chip-scale optical systems to support these optical sensors will be highlighted, and the development of inexpensive Si complementary metal-oxide semiconductor circuitry (which makes up the vast majority of computational systems today) for signal processing and wireless communication with local receivers that lie directly on the chip-scale sensor head itself will be examined.
HTMT-class Latency Tolerant Parallel Architecture for Petaflops Scale Computation
NASA Technical Reports Server (NTRS)
Sterling, Thomas; Bergman, Larry
2000-01-01
Computational Aero Sciences and other numeric intensive computation disciplines demand computing throughputs substantially greater than the Teraflops scale systems only now becoming available. The related fields of fluids, structures, thermal, combustion, and dynamic controls are among the interdisciplinary areas that in combination with sufficient resolution and advanced adaptive techniques may force performance requirements towards Petaflops. This will be especially true for compute intensive models such as Navier-Stokes are or when such system models are only part of a larger design optimization computation involving many design points. Yet recent experience with conventional MPP configurations comprising commodity processing and memory components has shown that larger scale frequently results in higher programming difficulty and lower system efficiency. While important advances in system software and algorithms techniques have had some impact on efficiency and programmability for certain classes of problems, in general it is unlikely that software alone will resolve the challenges to higher scalability. As in the past, future generations of high-end computers may require a combination of hardware architecture and system software advances to enable efficient operation at a Petaflops level. The NASA led HTMT project has engaged the talents of a broad interdisciplinary team to develop a new strategy in high-end system architecture to deliver petaflops scale computing in the 2004/5 timeframe. The Hybrid-Technology, MultiThreaded parallel computer architecture incorporates several advanced technologies in combination with an innovative dynamic adaptive scheduling mechanism to provide unprecedented performance and efficiency within practical constraints of cost, complexity, and power consumption. The emerging superconductor Rapid Single Flux Quantum electronics can operate at 100 GHz (the record is 770 GHz) and one percent of the power required by convention semiconductor logic. Wave Division Multiplexing optical communications can approach a peak per fiber bandwidth of 1 Tbps and the new Data Vortex network topology employing this technology can connect tens of thousands of ports providing a bi-section bandwidth on the order of a Petabyte per second with latencies well below 100 nanoseconds, even under heavy loads. Processor-in-Memory (PIM) technology combines logic and memory on the same chip exposing the internal bandwidth of the memory row buffers at low latency. And holographic storage photorefractive storage technologies provide high-density memory with access a thousand times faster than conventional disk technologies. Together these technologies enable a new class of shared memory system architecture with a peak performance in the range of a Petaflops but size and power requirements comparable to today's largest Teraflops scale systems. To achieve high-sustained performance, HTMT combines an advanced multithreading processor architecture with a memory-driven coarse-grained latency management strategy called "percolation", yielding high efficiency while reducing the much of the parallel programming burden. This paper will present the basic system architecture characteristics made possible through this series of advanced technologies and then give a detailed description of the new percolation approach to runtime latency management.
2012-01-01
The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al. PMID:22338640
Berti, Claudio; Gillespie, Dirk; Eisenberg, Robert S; Fiegna, Claudio
2012-02-16
The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al.
Computer programs for smoothing and scaling airfoil coordinates
NASA Technical Reports Server (NTRS)
Morgan, H. L., Jr.
1983-01-01
Detailed descriptions are given of the theoretical methods and associated computer codes of a program to smooth and a program to scale arbitrary airfoil coordinates. The smoothing program utilizes both least-squares polynomial and least-squares cubic spline techniques to smooth interatively the second derivatives of the y-axis airfoil coordinates with respect to a transformed x-axis system which unwraps the airfoil and stretches the nose and trailing-edge regions. The corresponding smooth airfoil coordinates are then determined by solving a tridiagonal matrix of simultaneous cubic-spline equations relating the y-axis coordinates and their corresponding second derivatives. A technique for computing the camber and thickness distribution of the smoothed airfoil is also discussed. The scaling program can then be used to scale the thickness distribution generated by the smoothing program to a specific maximum thickness which is then combined with the camber distribution to obtain the final scaled airfoil contour. Computer listings of the smoothing and scaling programs are included.
Enabling Wide-Scale Computer Science Education through Improved Automated Assessment Tools
NASA Astrophysics Data System (ADS)
Boe, Bryce A.
There is a proliferating demand for newly trained computer scientists as the number of computer science related jobs continues to increase. University programs will only be able to train enough new computer scientists to meet this demand when two things happen: when there are more primary and secondary school students interested in computer science, and when university departments have the resources to handle the resulting increase in enrollment. To meet these goals, significant effort is being made to both incorporate computational thinking into existing primary school education, and to support larger university computer science class sizes. We contribute to this effort through the creation and use of improved automated assessment tools. To enable wide-scale computer science education we do two things. First, we create a framework called Hairball to support the static analysis of Scratch programs targeted for fourth, fifth, and sixth grade students. Scratch is a popular building-block language utilized to pique interest in and teach the basics of computer science. We observe that Hairball allows for rapid curriculum alterations and thus contributes to wide-scale deployment of computer science curriculum. Second, we create a real-time feedback and assessment system utilized in university computer science classes to provide better feedback to students while reducing assessment time. Insights from our analysis of student submission data show that modifications to the system configuration support the way students learn and progress through course material, making it possible for instructors to tailor assignments to optimize learning in growing computer science classes.
NASA Technical Reports Server (NTRS)
Deardorff, Glenn; Djomehri, M. Jahed; Freeman, Ken; Gambrel, Dave; Green, Bryan; Henze, Chris; Hinke, Thomas; Hood, Robert; Kiris, Cetin; Moran, Patrick;
2001-01-01
A series of NASA presentations for the Supercomputing 2001 conference are summarized. The topics include: (1) Mars Surveyor Landing Sites "Collaboratory"; (2) Parallel and Distributed CFD for Unsteady Flows with Moving Overset Grids; (3) IP Multicast for Seamless Support of Remote Science; (4) Consolidated Supercomputing Management Office; (5) Growler: A Component-Based Framework for Distributed/Collaborative Scientific Visualization and Computational Steering; (6) Data Mining on the Information Power Grid (IPG); (7) Debugging on the IPG; (8) Debakey Heart Assist Device: (9) Unsteady Turbopump for Reusable Launch Vehicle; (10) Exploratory Computing Environments Component Framework; (11) OVERSET Computational Fluid Dynamics Tools; (12) Control and Observation in Distributed Environments; (13) Multi-Level Parallelism Scaling on NASA's Origin 1024 CPU System; (14) Computing, Information, & Communications Technology; (15) NAS Grid Benchmarks; (16) IPG: A Large-Scale Distributed Computing and Data Management System; and (17) ILab: Parameter Study Creation and Submission on the IPG.
Graphics Flutter Analysis Methods, an interactive computing system at Lockheed-California Company
NASA Technical Reports Server (NTRS)
Radovcich, N. A.
1975-01-01
An interactive computer graphics system, Graphics Flutter Analysis Methods (GFAM), was developed to complement FAMAS, a matrix-oriented batch computing system, and other computer programs in performing complex numerical calculations using a fully integrated data management system. GFAM has many of the matrix operation capabilities found in FAMAS, but on a smaller scale, and is utilized when the analysis requires a high degree of interaction between the engineer and computer, and schedule constraints exclude the use of batch entry programs. Applications of GFAM to a variety of preliminary design, development design, and project modification programs suggest that interactive flutter analysis using matrix representations is a feasible and cost effective computing tool.
Gilbert, David
2016-01-01
Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour, the Xenopus laevis cell cycle and the acute inflammation of the gut and lung. Our methodology and software will enable computational biologists to efficiently develop reliable multilevel computational models of biological systems. PMID:27187178
Pârvu, Ovidiu; Gilbert, David
2016-01-01
Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour, the Xenopus laevis cell cycle and the acute inflammation of the gut and lung. Our methodology and software will enable computational biologists to efficiently develop reliable multilevel computational models of biological systems.
Study of a hybrid multispectral processor
NASA Technical Reports Server (NTRS)
Marshall, R. E.; Kriegler, F. J.
1973-01-01
A hybrid processor is described offering enough handling capacity and speed to process efficiently the large quantities of multispectral data that can be gathered by scanner systems such as MSDS, SKYLAB, ERTS, and ERIM M-7. Combinations of general-purpose and special-purpose hybrid computers were examined to include both analog and digital types as well as all-digital configurations. The current trend toward lower costs for medium-scale digital circuitry suggests that the all-digital approach may offer the better solution within the time frame of the next few years. The study recommends and defines such a hybrid digital computing system in which both special-purpose and general-purpose digital computers would be employed. The tasks of recognizing surface objects would be performed in a parallel, pipeline digital system while the tasks of control and monitoring would be handled by a medium-scale minicomputer system. A program to design and construct a small, prototype, all-digital system has been started.
Information Science Research: The Search for the Nature of Information.
ERIC Educational Resources Information Center
Kochen, Manfred
1984-01-01
High-level scientific research in the information sciences is illustrated by sampling of recent discoveries involving adaptive information processing strategies, computer and information systems, centroid scaling, economic growth of computer and communication industries, and information flow in biological systems. Relationship of information…
Predictors of Computer Anxiety and Performance in Information Systems.
ERIC Educational Resources Information Center
Anderson, Alastair A.
1996-01-01
Reports on the results of a study of business undergraduates in Australia that was conducted to determine whether or not perceived knowledge of software, microcomputer experience, overall knowledge of computers, programming experience, and gender were predictors of computer anxiety. Use of the Computer Anxiety Rating Scale is discussed.…
Kussmann, Jörg; Ochsenfeld, Christian
2007-08-07
Details of a new density matrix-based formulation for calculating nuclear magnetic resonance chemical shifts at both Hartree-Fock and density functional theory levels are presented. For systems with a nonvanishing highest occupied molecular orbital-lowest unoccupied molecular orbital gap, the method allows us to reduce the asymptotic scaling order of the computational effort from cubic to linear, so that molecular systems with 1000 and more atoms can be tackled with today's computers. The key feature is a reformulation of the coupled-perturbed self-consistent field (CPSCF) theory in terms of the one-particle density matrix (D-CPSCF), which avoids entirely the use of canonical MOs. By means of a direct solution for the required perturbed density matrices and the adaptation of linear-scaling integral contraction schemes, the overall scaling of the computational effort is reduced to linear. A particular focus of our formulation is to ensure numerical stability when sparse-algebra routines are used to obtain an overall linear-scaling behavior.
NASA Astrophysics Data System (ADS)
Guo, Jie; Zhu, Chang`an
2016-01-01
The development of optics and computer technologies enables the application of the vision-based technique that uses digital cameras to the displacement measurement of large-scale structures. Compared with traditional contact measurements, vision-based technique allows for remote measurement, has a non-intrusive characteristic, and does not necessitate mass introduction. In this study, a high-speed camera system is developed to complete the displacement measurement in real time. The system consists of a high-speed camera and a notebook computer. The high-speed camera can capture images at a speed of hundreds of frames per second. To process the captured images in computer, the Lucas-Kanade template tracking algorithm in the field of computer vision is introduced. Additionally, a modified inverse compositional algorithm is proposed to reduce the computing time of the original algorithm and improve the efficiency further. The modified algorithm can rapidly accomplish one displacement extraction within 1 ms without having to install any pre-designed target panel onto the structures in advance. The accuracy and the efficiency of the system in the remote measurement of dynamic displacement are demonstrated in the experiments on motion platform and sound barrier on suspension viaduct. Experimental results show that the proposed algorithm can extract accurate displacement signal and accomplish the vibration measurement of large-scale structures.
2015-01-01
Economies are instances of complex socio-technical systems that are shaped by the interactions of large numbers of individuals. The individual behavior and decision-making of consumer agents is determined by complex psychological dynamics that include their own assessment of present and future economic conditions as well as those of others, potentially leading to feedback loops that affect the macroscopic state of the economic system. We propose that the large-scale interactions of a nation's citizens with its online resources can reveal the complex dynamics of their collective psychology, including their assessment of future system states. Here we introduce a behavioral index of Chinese Consumer Confidence (C3I) that computationally relates large-scale online search behavior recorded by Google Trends data to the macroscopic variable of consumer confidence. Our results indicate that such computational indices may reveal the components and complex dynamics of consumer psychology as a collective socio-economic phenomenon, potentially leading to improved and more refined economic forecasting. PMID:25826692
Dong, Xianlei; Bollen, Johan
2015-01-01
Economies are instances of complex socio-technical systems that are shaped by the interactions of large numbers of individuals. The individual behavior and decision-making of consumer agents is determined by complex psychological dynamics that include their own assessment of present and future economic conditions as well as those of others, potentially leading to feedback loops that affect the macroscopic state of the economic system. We propose that the large-scale interactions of a nation's citizens with its online resources can reveal the complex dynamics of their collective psychology, including their assessment of future system states. Here we introduce a behavioral index of Chinese Consumer Confidence (C3I) that computationally relates large-scale online search behavior recorded by Google Trends data to the macroscopic variable of consumer confidence. Our results indicate that such computational indices may reveal the components and complex dynamics of consumer psychology as a collective socio-economic phenomenon, potentially leading to improved and more refined economic forecasting.
How Much Higher Can HTCondor Fly?
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fajardo, E. M.; Dost, J. M.; Holzman, B.
The HTCondor high throughput computing system is heavily used in the high energy physics (HEP) community as the batch system for several Worldwide LHC Computing Grid (WLCG) resources. Moreover, it is the backbone of GlidelnWMS, the pilot system used by the computing organization of the Compact Muon Solenoid (CMS) experiment. To prepare for LHC Run 2, we probed the scalability limits of new versions and configurations of HTCondor with a goal of reaching 200,000 simultaneous running jobs in a single internationally distributed dynamic pool.In this paper, we first describe how we created an opportunistic distributed testbed capable of exercising runsmore » with 200,000 simultaneous jobs without impacting production. This testbed methodology is appropriate not only for scale testing HTCondor, but potentially for many other services. In addition to the test conditions and the testbed topology, we include the suggested configuration options used to obtain the scaling results, and describe some of the changes to HTCondor inspired by our testing that enabled sustained operations at scales well beyond previous limits.« less
BioPig: a Hadoop-based analytic toolkit for large-scale sequence data.
Nordberg, Henrik; Bhatia, Karan; Wang, Kai; Wang, Zhong
2013-12-01
The recent revolution in sequencing technologies has led to an exponential growth of sequence data. As a result, most of the current bioinformatics tools become obsolete as they fail to scale with data. To tackle this 'data deluge', here we introduce the BioPig sequence analysis toolkit as one of the solutions that scale to data and computation. We built BioPig on the Apache's Hadoop MapReduce system and the Pig data flow language. Compared with traditional serial and MPI-based algorithms, BioPig has three major advantages: first, BioPig's programmability greatly reduces development time for parallel bioinformatics applications; second, testing BioPig with up to 500 Gb sequences demonstrates that it scales automatically with size of data; and finally, BioPig can be ported without modification on many Hadoop infrastructures, as tested with Magellan system at National Energy Research Scientific Computing Center and the Amazon Elastic Compute Cloud. In summary, BioPig represents a novel program framework with the potential to greatly accelerate data-intensive bioinformatics analysis.
The TeraShake Computational Platform for Large-Scale Earthquake Simulations
NASA Astrophysics Data System (ADS)
Cui, Yifeng; Olsen, Kim; Chourasia, Amit; Moore, Reagan; Maechling, Philip; Jordan, Thomas
Geoscientific and computer science researchers with the Southern California Earthquake Center (SCEC) are conducting a large-scale, physics-based, computationally demanding earthquake system science research program with the goal of developing predictive models of earthquake processes. The computational demands of this program continue to increase rapidly as these researchers seek to perform physics-based numerical simulations of earthquake processes for larger meet the needs of this research program, a multiple-institution team coordinated by SCEC has integrated several scientific codes into a numerical modeling-based research tool we call the TeraShake computational platform (TSCP). A central component in the TSCP is a highly scalable earthquake wave propagation simulation program called the TeraShake anelastic wave propagation (TS-AWP) code. In this chapter, we describe how we extended an existing, stand-alone, wellvalidated, finite-difference, anelastic wave propagation modeling code into the highly scalable and widely used TS-AWP and then integrated this code into the TeraShake computational platform that provides end-to-end (initialization to analysis) research capabilities. We also describe the techniques used to enhance the TS-AWP parallel performance on TeraGrid supercomputers, as well as the TeraShake simulations phases including input preparation, run time, data archive management, and visualization. As a result of our efforts to improve its parallel efficiency, the TS-AWP has now shown highly efficient strong scaling on over 40K processors on IBM’s BlueGene/L Watson computer. In addition, the TSCP has developed into a computational system that is useful to many members of the SCEC community for performing large-scale earthquake simulations.
The Numerical Propulsion System Simulation: An Overview
NASA Technical Reports Server (NTRS)
Lytle, John K.
2000-01-01
Advances in computational technology and in physics-based modeling are making large-scale, detailed simulations of complex systems possible within the design environment. For example, the integration of computing, communications, and aerodynamics has reduced the time required to analyze major propulsion system components from days and weeks to minutes and hours. This breakthrough has enabled the detailed simulation of major propulsion system components to become a routine part of designing systems, providing the designer with critical information about the components early in the design process. This paper describes the development of the numerical propulsion system simulation (NPSS), a modular and extensible framework for the integration of multicomponent and multidisciplinary analysis tools using geographically distributed resources such as computing platforms, data bases, and people. The analysis is currently focused on large-scale modeling of complete aircraft engines. This will provide the product developer with a "virtual wind tunnel" that will reduce the number of hardware builds and tests required during the development of advanced aerospace propulsion systems.
Deepak, Vemula; Challa, Ramasubba Reddy; Kamatham, Rekhalakshmi; Nuvvula, Sivakumar
2017-01-01
Background: Pain in the dental operatory can have a profound effect on the behavior of children. Aim: The aim of this study is to evaluate the pain perception while administering local infiltration, in children undergoing dental extractions, using a new auto-controlled injection system. Materials and Methods: Children in the age range of 6–10 years with teeth indicated for extraction were recruited and allocated to either Group I, computer-controlled injection system (auto system with special cartridge and compatible disposable 30-gauge, 10 mm needles), or Group II, traditional system (30-gauge, 10 mm needle and disposable traditional syringe). Local infiltration was administered and extraction performed after 3 min. The time of administration (TOA) of infiltrate was noted whereas anxiety and pain in both groups were assessed using the Modified Child Dental Anxiety Faces Scale simplified (MCDAS(f)), pulse rate, Faces Pain Scale-Revised (FPS-R), and Face, Legs, Activity, Cry, Consolability (FLACC) Scale. Results: The TOA was high in computer group, compared to the traditional system (P < 0.001***); however, anxiety and pain were significantly less in computer group as reported in MCDAS(f), pulse rate, FPS-R, and FLACC (P < 0.001***). Conclusions: Computer system created a positive and comfortable experience for the child, as well as the practitioner. The possibility of using buccal infiltration instead of inferior alveolar nerve block in children below 10 years was also demonstrated. PMID:28663636
An Implicit Solver on A Parallel Block-Structured Adaptive Mesh Grid for FLASH
NASA Astrophysics Data System (ADS)
Lee, D.; Gopal, S.; Mohapatra, P.
2012-07-01
We introduce a fully implicit solver for FLASH based on a Jacobian-Free Newton-Krylov (JFNK) approach with an appropriate preconditioner. The main goal of developing this JFNK-type implicit solver is to provide efficient high-order numerical algorithms and methodology for simulating stiff systems of differential equations on large-scale parallel computer architectures. A large number of natural problems in nonlinear physics involve a wide range of spatial and time scales of interest. A system that encompasses such a wide magnitude of scales is described as "stiff." A stiff system can arise in many different fields of physics, including fluid dynamics/aerodynamics, laboratory/space plasma physics, low Mach number flows, reactive flows, radiation hydrodynamics, and geophysical flows. One of the big challenges in solving such a stiff system using current-day computational resources lies in resolving time and length scales varying by several orders of magnitude. We introduce FLASH's preliminary implementation of a time-accurate JFNK-based implicit solver in the framework of FLASH's unsplit hydro solver.
High End Computing Technologies for Earth Science Applications: Trends, Challenges, and Innovations
NASA Technical Reports Server (NTRS)
Parks, John (Technical Monitor); Biswas, Rupak; Yan, Jerry C.; Brooks, Walter F.; Sterling, Thomas L.
2003-01-01
Earth science applications of the future will stress the capabilities of even the highest performance supercomputers in the areas of raw compute power, mass storage management, and software environments. These NASA mission critical problems demand usable multi-petaflops and exabyte-scale systems to fully realize their science goals. With an exciting vision of the technologies needed, NASA has established a comprehensive program of advanced research in computer architecture, software tools, and device technology to ensure that, in partnership with US industry, it can meet these demanding requirements with reliable, cost effective, and usable ultra-scale systems. NASA will exploit, explore, and influence emerging high end computing architectures and technologies to accelerate the next generation of engineering, operations, and discovery processes for NASA Enterprises. This article captures this vision and describes the concepts, accomplishments, and the potential payoff of the key thrusts that will help meet the computational challenges in Earth science applications.
Biomolecular computing systems: principles, progress and potential.
Benenson, Yaakov
2012-06-12
The task of information processing, or computation, can be performed by natural and man-made 'devices'. Man-made computers are made from silicon chips, whereas natural 'computers', such as the brain, use cells and molecules. Computation also occurs on a much smaller scale in regulatory and signalling pathways in individual cells and even within single biomolecules. Indeed, much of what we recognize as life results from the remarkable capacity of biological building blocks to compute in highly sophisticated ways. Rational design and engineering of biological computing systems can greatly enhance our ability to study and to control biological systems. Potential applications include tissue engineering and regeneration and medical treatments. This Review introduces key concepts and discusses recent progress that has been made in biomolecular computing.
Rapid solution of large-scale systems of equations
NASA Technical Reports Server (NTRS)
Storaasli, Olaf O.
1994-01-01
The analysis and design of complex aerospace structures requires the rapid solution of large systems of linear and nonlinear equations, eigenvalue extraction for buckling, vibration and flutter modes, structural optimization and design sensitivity calculation. Computers with multiple processors and vector capabilities can offer substantial computational advantages over traditional scalar computer for these analyses. These computers fall into two categories: shared memory computers and distributed memory computers. This presentation covers general-purpose, highly efficient algorithms for generation/assembly or element matrices, solution of systems of linear and nonlinear equations, eigenvalue and design sensitivity analysis and optimization. All algorithms are coded in FORTRAN for shared memory computers and many are adapted to distributed memory computers. The capability and numerical performance of these algorithms will be addressed.
An Approach to Experimental Design for the Computer Analysis of Complex Phenomenon
NASA Technical Reports Server (NTRS)
Rutherford, Brian
2000-01-01
The ability to make credible system assessments, predictions and design decisions related to engineered systems and other complex phenomenon is key to a successful program for many large-scale investigations in government and industry. Recently, many of these large-scale analyses have turned to computational simulation to provide much of the required information. Addressing specific goals in the computer analysis of these complex phenomenon is often accomplished through the use of performance measures that are based on system response models. The response models are constructed using computer-generated responses together with physical test results where possible. They are often based on probabilistically defined inputs and generally require estimation of a set of response modeling parameters. As a consequence, the performance measures are themselves distributed quantities reflecting these variabilities and uncertainties. Uncertainty in the values of the performance measures leads to uncertainties in predicted performance and can cloud the decisions required of the analysis. A specific goal of this research has been to develop methodology that will reduce this uncertainty in an analysis environment where limited resources and system complexity together restrict the number of simulations that can be performed. An approach has been developed that is based on evaluation of the potential information provided for each "intelligently selected" candidate set of computer runs. Each candidate is evaluated by partitioning the performance measure uncertainty into two components - one component that could be explained through the additional computational simulation runs and a second that would remain uncertain. The portion explained is estimated using a probabilistic evaluation of likely results for the additional computational analyses based on what is currently known about the system. The set of runs indicating the largest potential reduction in uncertainty is then selected and the computational simulations are performed. Examples are provided to demonstrate this approach on small scale problems. These examples give encouraging results. Directions for further research are indicated.
Single-chip microprocessor that communicates directly using light.
Sun, Chen; Wade, Mark T; Lee, Yunsup; Orcutt, Jason S; Alloatti, Luca; Georgas, Michael S; Waterman, Andrew S; Shainline, Jeffrey M; Avizienis, Rimas R; Lin, Sen; Moss, Benjamin R; Kumar, Rajesh; Pavanello, Fabio; Atabaki, Amir H; Cook, Henry M; Ou, Albert J; Leu, Jonathan C; Chen, Yu-Hsin; Asanović, Krste; Ram, Rajeev J; Popović, Miloš A; Stojanović, Vladimir M
2015-12-24
Data transport across short electrical wires is limited by both bandwidth and power density, which creates a performance bottleneck for semiconductor microchips in modern computer systems--from mobile phones to large-scale data centres. These limitations can be overcome by using optical communications based on chip-scale electronic-photonic systems enabled by silicon-based nanophotonic devices. However, combining electronics and photonics on the same chip has proved challenging, owing to microchip manufacturing conflicts between electronics and photonics. Consequently, current electronic-photonic chips are limited to niche manufacturing processes and include only a few optical devices alongside simple circuits. Here we report an electronic-photonic system on a single chip integrating over 70 million transistors and 850 photonic components that work together to provide logic, memory, and interconnect functions. This system is a realization of a microprocessor that uses on-chip photonic devices to directly communicate with other chips using light. To integrate electronics and photonics at the scale of a microprocessor chip, we adopt a 'zero-change' approach to the integration of photonics. Instead of developing a custom process to enable the fabrication of photonics, which would complicate or eliminate the possibility of integration with state-of-the-art transistors at large scale and at high yield, we design optical devices using a standard microelectronics foundry process that is used for modern microprocessors. This demonstration could represent the beginning of an era of chip-scale electronic-photonic systems with the potential to transform computing system architectures, enabling more powerful computers, from network infrastructure to data centres and supercomputers.
Analytical Cost Metrics : Days of Future Past
DOE Office of Scientific and Technical Information (OSTI.GOV)
Prajapati, Nirmal; Rajopadhye, Sanjay; Djidjev, Hristo Nikolov
As we move towards the exascale era, the new architectures must be capable of running the massive computational problems efficiently. Scientists and researchers are continuously investing in tuning the performance of extreme-scale computational problems. These problems arise in almost all areas of computing, ranging from big data analytics, artificial intelligence, search, machine learning, virtual/augmented reality, computer vision, image/signal processing to computational science and bioinformatics. With Moore’s law driving the evolution of hardware platforms towards exascale, the dominant performance metric (time efficiency) has now expanded to also incorporate power/energy efficiency. Therefore the major challenge that we face in computing systems researchmore » is: “how to solve massive-scale computational problems in the most time/power/energy efficient manner?”« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Miller, David; Agarwal, Deborah A.; Sun, Xin
2011-09-01
The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Miller, D.; Agarwal, D.; Sun, X.
2011-01-01
The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.
NASA Technical Reports Server (NTRS)
Smith, Terence R.; Menon, Sudhakar; Star, Jeffrey L.; Estes, John E.
1987-01-01
This paper provides a brief survey of the history, structure and functions of 'traditional' geographic information systems (GIS), and then suggests a set of requirements that large-scale GIS should satisfy, together with a set of principles for their satisfaction. These principles, which include the systematic application of techniques from several subfields of computer science to the design and implementation of GIS and the integration of techniques from computer vision and image processing into standard GIS technology, are discussed in some detail. In particular, the paper provides a detailed discussion of questions relating to appropriate data models, data structures and computational procedures for the efficient storage, retrieval and analysis of spatially-indexed data.
2005-03-28
consequently users are torn between taking advantage of increasingly pervasive computing systems, and the price (in attention and skill) that they have to... advantage of the surrounding computing environments; and (c) that it is usable by non-experts. Second, from a software architect’s perspective, we...take full advantage of the computing systems accessible to them, much as they take advantage of the furniture in each physical space. In the example
A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations
Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; ...
2015-06-01
Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, ormore » system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application-specific and sometimes ad-hoc approaches for model coupling. We are developing a generalized approach to hierarchical model coupling designed for high-performance computational systems, based on the Swift computing workflow framework. In this presentation we will describe the generalized approach and provide two use cases: 1) simulation of a mixing-controlled biogeochemical reaction coupling pore- and continuum-scale models, and 2) simulation of biogeochemical impacts of groundwater – river water interactions coupling fine- and coarse-grid model representations. This generalized framework can be customized for use with any pair of linked models (microscale and macroscale) with minimal intrusiveness to the at-scale simulators. It combines a set of python scripts with the Swift workflow environment to execute a complex multiscale simulation utilizing an approach similar to the well-known Heterogeneous Multiscale Method. User customization is facilitated through user-provided input and output file templates and processing function scripts, and execution within a high-performance computing environment is handled by Swift, such that minimal to no user modification of at-scale codes is required.« less
A living mesoscopic cellular automaton made of skin scales.
Manukyan, Liana; Montandon, Sophie A; Fofonjka, Anamarija; Smirnov, Stanislav; Milinkovitch, Michel C
2017-04-12
In vertebrates, skin colour patterns emerge from nonlinear dynamical microscopic systems of cell interactions. Here we show that in ocellated lizards a quasi-hexagonal lattice of skin scales, rather than individual chromatophore cells, establishes a green and black labyrinthine pattern of skin colour. We analysed time series of lizard scale colour dynamics over four years of their development and demonstrate that this pattern is produced by a cellular automaton (a grid of elements whose states are iterated according to a set of rules based on the states of neighbouring elements) that dynamically computes the colour states of individual mesoscopic skin scales to produce the corresponding macroscopic colour pattern. Using numerical simulations and mathematical derivation, we identify how a discrete von Neumann cellular automaton emerges from a continuous Turing reaction-diffusion system. Skin thickness variation generated by three-dimensional morphogenesis of skin scales causes the underlying reaction-diffusion dynamics to separate into microscopic and mesoscopic spatial scales, the latter generating a cellular automaton. Our study indicates that cellular automata are not merely abstract computational systems, but can directly correspond to processes generated by biological evolution.
A living mesoscopic cellular automaton made of skin scales
NASA Astrophysics Data System (ADS)
Manukyan, Liana; Montandon, Sophie A.; Fofonjka, Anamarija; Smirnov, Stanislav; Milinkovitch, Michel C.
2017-04-01
In vertebrates, skin colour patterns emerge from nonlinear dynamical microscopic systems of cell interactions. Here we show that in ocellated lizards a quasi-hexagonal lattice of skin scales, rather than individual chromatophore cells, establishes a green and black labyrinthine pattern of skin colour. We analysed time series of lizard scale colour dynamics over four years of their development and demonstrate that this pattern is produced by a cellular automaton (a grid of elements whose states are iterated according to a set of rules based on the states of neighbouring elements) that dynamically computes the colour states of individual mesoscopic skin scales to produce the corresponding macroscopic colour pattern. Using numerical simulations and mathematical derivation, we identify how a discrete von Neumann cellular automaton emerges from a continuous Turing reaction-diffusion system. Skin thickness variation generated by three-dimensional morphogenesis of skin scales causes the underlying reaction-diffusion dynamics to separate into microscopic and mesoscopic spatial scales, the latter generating a cellular automaton. Our study indicates that cellular automata are not merely abstract computational systems, but can directly correspond to processes generated by biological evolution.
Lessons Learned in Deploying the World s Largest Scale Lustre File System
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dillow, David A; Fuller, Douglas; Wang, Feiyi
2010-01-01
The Spider system at the Oak Ridge National Laboratory's Leadership Computing Facility (OLCF) is the world's largest scale Lustre parallel file system. Envisioned as a shared parallel file system capable of delivering both the bandwidth and capacity requirements of the OLCF's diverse computational environment, the project had a number of ambitious goals. To support the workloads of the OLCF's diverse computational platforms, the aggregate performance and storage capacity of Spider exceed that of our previously deployed systems by a factor of 6x - 240 GB/sec, and 17x - 10 Petabytes, respectively. Furthermore, Spider supports over 26,000 clients concurrently accessing themore » file system, which exceeds our previously deployed systems by nearly 4x. In addition to these scalability challenges, moving to a center-wide shared file system required dramatically improved resiliency and fault-tolerance mechanisms. This paper details our efforts in designing, deploying, and operating Spider. Through a phased approach of research and development, prototyping, deployment, and transition to operations, this work has resulted in a number of insights into large-scale parallel file system architectures, from both the design and the operational perspectives. We present in this paper our solutions to issues such as network congestion, performance baselining and evaluation, file system journaling overheads, and high availability in a system with tens of thousands of components. We also discuss areas of continued challenges, such as stressed metadata performance and the need for file system quality of service alongside with our efforts to address them. Finally, operational aspects of managing a system of this scale are discussed along with real-world data and observations.« less
Entrepreneurial systems. Do it yourself for profit and pleasure.
Manuel, G; Young, K
1991-11-28
You don't have to have a degree in computing or a 1 m pounds budget to create a system that improves efficiency or saves money. Gren Manuel introduces a special report which celebrates the small-scale initiatives devised and implemented by health staff armed only with a personal computer.
Machine Learning, deep learning and optimization in computer vision
NASA Astrophysics Data System (ADS)
Canu, Stéphane
2017-03-01
As quoted in the Large Scale Computer Vision Systems NIPS workshop, computer vision is a mature field with a long tradition of research, but recent advances in machine learning, deep learning, representation learning and optimization have provided models with new capabilities to better understand visual content. The presentation will go through these new developments in machine learning covering basic motivations, ideas, models and optimization in deep learning for computer vision, identifying challenges and opportunities. It will focus on issues related with large scale learning that is: high dimensional features, large variety of visual classes, and large number of examples.
Enabling Large-Scale Biomedical Analysis in the Cloud
Lin, Ying-Chih; Yu, Chin-Sheng; Lin, Yen-Jen
2013-01-01
Recent progress in high-throughput instrumentations has led to an astonishing growth in both volume and complexity of biomedical data collected from various sources. The planet-size data brings serious challenges to the storage and computing technologies. Cloud computing is an alternative to crack the nut because it gives concurrent consideration to enable storage and high-performance computing on large-scale data. This work briefly introduces the data intensive computing system and summarizes existing cloud-based resources in bioinformatics. These developments and applications would facilitate biomedical research to make the vast amount of diversification data meaningful and usable. PMID:24288665
Exploring Cloud Computing for Large-scale Scientific Applications
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lin, Guang; Han, Binh; Yin, Jian
This paper explores cloud computing for large-scale data-intensive scientific applications. Cloud computing is attractive because it provides hardware and software resources on-demand, which relieves the burden of acquiring and maintaining a huge amount of resources that may be used only once by a scientific application. However, unlike typical commercial applications that often just requires a moderate amount of ordinary resources, large-scale scientific applications often need to process enormous amount of data in the terabyte or even petabyte range and require special high performance hardware with low latency connections to complete computation in a reasonable amount of time. To address thesemore » challenges, we build an infrastructure that can dynamically select high performance computing hardware across institutions and dynamically adapt the computation to the selected resources to achieve high performance. We have also demonstrated the effectiveness of our infrastructure by building a system biology application and an uncertainty quantification application for carbon sequestration, which can efficiently utilize data and computation resources across several institutions.« less
Computational singular perturbation analysis of stochastic chemical systems with stiffness
Wang, Lijin; Han, Xiaoying; Cao, Yanzhao; ...
2017-01-25
Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to notmore » only construct accurately and efficiently the numerical solutions to stiff stochastic chemical reaction systems, but also analyze the dynamics of the reduced stochastic reaction systems. Furthermore, the algorithm is illustrated by an application to a benchmark stochastic differential equation model, and numerical experiments are carried out to demonstrate the effectiveness of the construction.« less
Beyond CMOS computing with spin and polarization
NASA Astrophysics Data System (ADS)
Manipatruni, Sasikanth; Nikonov, Dmitri E.; Young, Ian A.
2018-04-01
Spintronic and multiferroic systems are leading candidates for achieving attojoule-class logic gates for computing, thereby enabling the continuation of Moore's law for transistor scaling. However, shifting the materials focus of computing towards oxides and topological materials requires a holistic approach addressing energy, stochasticity and complexity.
The Use of Scale-Dependent Precision to Increase Forecast Accuracy in Earth System Modelling
NASA Astrophysics Data System (ADS)
Thornes, Tobias; Duben, Peter; Palmer, Tim
2016-04-01
At the current pace of development, it may be decades before the 'exa-scale' computers needed to resolve individual convective clouds in weather and climate models become available to forecasters, and such machines will incur very high power demands. But the resolution could be improved today by switching to more efficient, 'inexact' hardware with which variables can be represented in 'reduced precision'. Currently, all numbers in our models are represented as double-precision floating points - each requiring 64 bits of memory - to minimise rounding errors, regardless of spatial scale. Yet observational and modelling constraints mean that values of atmospheric variables are inevitably known less precisely on smaller scales, suggesting that this may be a waste of computer resources. More accurate forecasts might therefore be obtained by taking a scale-selective approach whereby the precision of variables is gradually decreased at smaller spatial scales to optimise the overall efficiency of the model. To study the effect of reducing precision to different levels on multiple spatial scales, we here introduce a new model atmosphere developed by extending the Lorenz '96 idealised system to encompass three tiers of variables - which represent large-, medium- and small-scale features - for the first time. In this chaotic but computationally tractable system, the 'true' state can be defined by explicitly resolving all three tiers. The abilities of low resolution (single-tier) double-precision models and similar-cost high resolution (two-tier) models in mixed-precision to produce accurate forecasts of this 'truth' are compared. The high resolution models outperform the low resolution ones even when small-scale variables are resolved in half-precision (16 bits). This suggests that using scale-dependent levels of precision in more complicated real-world Earth System models could allow forecasts to be made at higher resolution and with improved accuracy. If adopted, this new paradigm would represent a revolution in numerical modelling that could be of great benefit to the world.
YF-12 cooperative airframe/propulsion control system program, volume 1
NASA Technical Reports Server (NTRS)
Anderson, D. L.; Connolly, G. F.; Mauro, F. M.; Reukauf, P. J.; Marks, R. (Editor)
1980-01-01
Several YF-12C airplane analog control systems were converted to a digital system. Included were the air data computer, autopilot, inlet control system, and autothrottle systems. This conversion was performed to allow assessment of digital technology applications to supersonic cruise aircraft. The digital system was composed of a digital computer and specialized interface unit. A large scale mathematical simulation of the airplane was used for integration testing and software checkout.
NASA Astrophysics Data System (ADS)
Shi, X.
2015-12-01
As NSF indicated - "Theory and experimentation have for centuries been regarded as two fundamental pillars of science. It is now widely recognized that computational and data-enabled science forms a critical third pillar." Geocomputation is the third pillar of GIScience and geosciences. With the exponential growth of geodata, the challenge of scalable and high performance computing for big data analytics become urgent because many research activities are constrained by the inability of software or tool that even could not complete the computation process. Heterogeneous geodata integration and analytics obviously magnify the complexity and operational time frame. Many large-scale geospatial problems may be not processable at all if the computer system does not have sufficient memory or computational power. Emerging computer architectures, such as Intel's Many Integrated Core (MIC) Architecture and Graphics Processing Unit (GPU), and advanced computing technologies provide promising solutions to employ massive parallelism and hardware resources to achieve scalability and high performance for data intensive computing over large spatiotemporal and social media data. Exploring novel algorithms and deploying the solutions in massively parallel computing environment to achieve the capability for scalable data processing and analytics over large-scale, complex, and heterogeneous geodata with consistent quality and high-performance has been the central theme of our research team in the Department of Geosciences at the University of Arkansas (UARK). New multi-core architectures combined with application accelerators hold the promise to achieve scalability and high performance by exploiting task and data levels of parallelism that are not supported by the conventional computing systems. Such a parallel or distributed computing environment is particularly suitable for large-scale geocomputation over big data as proved by our prior works, while the potential of such advanced infrastructure remains unexplored in this domain. Within this presentation, our prior and on-going initiatives will be summarized to exemplify how we exploit multicore CPUs, GPUs, and MICs, and clusters of CPUs, GPUs and MICs, to accelerate geocomputation in different applications.
Optimal estimation and scheduling in aquifer management using the rapid feedback control method
NASA Astrophysics Data System (ADS)
Ghorbanidehno, Hojat; Kokkinaki, Amalia; Kitanidis, Peter K.; Darve, Eric
2017-12-01
Management of water resources systems often involves a large number of parameters, as in the case of large, spatially heterogeneous aquifers, and a large number of "noisy" observations, as in the case of pressure observation in wells. Optimizing the operation of such systems requires both searching among many possible solutions and utilizing new information as it becomes available. However, the computational cost of this task increases rapidly with the size of the problem to the extent that textbook optimization methods are practically impossible to apply. In this paper, we present a new computationally efficient technique as a practical alternative for optimally operating large-scale dynamical systems. The proposed method, which we term Rapid Feedback Controller (RFC), provides a practical approach for combined monitoring, parameter estimation, uncertainty quantification, and optimal control for linear and nonlinear systems with a quadratic cost function. For illustration, we consider the case of a weakly nonlinear uncertain dynamical system with a quadratic objective function, specifically a two-dimensional heterogeneous aquifer management problem. To validate our method, we compare our results with the linear quadratic Gaussian (LQG) method, which is the basic approach for feedback control. We show that the computational cost of the RFC scales only linearly with the number of unknowns, a great improvement compared to the basic LQG control with a computational cost that scales quadratically. We demonstrate that the RFC method can obtain the optimal control values at a greatly reduced computational cost compared to the conventional LQG algorithm with small and controllable losses in the accuracy of the state and parameter estimation.
Integrative Systems Models of Cardiac Excitation Contraction Coupling
Greenstein, Joseph L.; Winslow, Raimond L.
2010-01-01
Excitation-contraction coupling in the cardiac myocyte is mediated by a number of highly integrated mechanisms of intracellular Ca2+ transport. The complexity and integrative nature of heart cell electrophysiology and Ca2+-cycling has led to an evolution of computational models that have played a crucial role in shaping our understanding of heart function. An important emerging theme in systems biology is that the detailed nature of local signaling events, such as those that occur in the cardiac dyad, have important consequences at higher biological scales. Multi-scale modeling techniques have revealed many mechanistic links between micro-scale events, such as Ca2+ binding to a channel protein, and macro-scale phenomena, such as excitation-contraction coupling gain. Here we review experimentally based multi-scale computational models of excitation-contraction coupling and the insights that have been gained through their application. PMID:21212390
Decentralized state estimation for a large-scale spatially interconnected system.
Liu, Huabo; Yu, Haisheng
2018-03-01
A decentralized state estimator is derived for the spatially interconnected systems composed of many subsystems with arbitrary connection relations. An optimization problem on the basis of linear matrix inequality (LMI) is constructed for the computations of improved subsystem parameter matrices. Several computationally effective approaches are derived which efficiently utilize the block-diagonal characteristic of system parameter matrices and the sparseness of subsystem connection matrix. Moreover, this decentralized state estimator is proved to converge to a stable system and obtain a bounded covariance matrix of estimation errors under certain conditions. Numerical simulations show that the obtained decentralized state estimator is attractive in the synthesis of a large-scale networked system. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.
Bittracher, Andreas; Koltai, Péter; Klus, Stefan; Banisch, Ralf; Dellnitz, Michael; Schütte, Christof
2018-01-01
We consider complex dynamical systems showing metastable behavior, but no local separation of fast and slow time scales. The article raises the question of whether such systems exhibit a low-dimensional manifold supporting its effective dynamics. For answering this question, we aim at finding nonlinear coordinates, called reaction coordinates, such that the projection of the dynamics onto these coordinates preserves the dominant time scales of the dynamics. We show that, based on a specific reducibility property, the existence of good low-dimensional reaction coordinates preserving the dominant time scales is guaranteed. Based on this theoretical framework, we develop and test a novel numerical approach for computing good reaction coordinates. The proposed algorithmic approach is fully local and thus not prone to the curse of dimension with respect to the state space of the dynamics. Hence, it is a promising method for data-based model reduction of complex dynamical systems such as molecular dynamics.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kreutz, Thomas G; Ogden, Joan M
2000-07-01
In the final report, we present results from a technical and economic assessment of residential scale PEM fuel cell power systems. The objectives of our study are to conceptually design an inexpensive, small-scale PEMFC-based stationary power system that converts natural gas to both electricity and heat, and then to analyze the prospective performance and economics of various system configurations. We developed computer models for residential scale PEMFC cogeneration systems to compare various system designs (e.g., steam reforming vs. partial oxidation, compressed vs. atmospheric pressure, etc.) and determine the most technically and economically attractive system configurations at various scales (e.g., singlemore » family, residential, multi-dwelling, neighborhood).« less
Scaling to Nanotechnology Limits with the PIMS Computer Architecture and a new Scaling Rule
DOE Office of Scientific and Technical Information (OSTI.GOV)
Debenedictis, Erik P.
2015-02-01
We describe a new approach to computing that moves towards the limits of nanotechnology using a newly formulated sc aling rule. This is in contrast to the current computer industry scali ng away from von Neumann's original computer at the rate of Moore's Law. We extend Moore's Law to 3D, which l eads generally to architectures that integrate logic and memory. To keep pow er dissipation cons tant through a 2D surface of the 3D structure requires using adiabatic principles. We call our newly proposed architecture Processor In Memory and Storage (PIMS). We propose a new computational model that integratesmore » processing and memory into "tiles" that comprise logic, memory/storage, and communications functions. Since the programming model will be relatively stable as a system scales, programs repr esented by tiles could be executed in a PIMS system built with today's technology or could become the "schematic diagram" for implementation in an ultimate 3D nanotechnology of the future. We build a systems software approach that offers advantages over and above the technological and arch itectural advantages. Firs t, the algorithms may be more efficient in the conventional sens e of having fewer steps. Second, the algorithms may run with higher power efficiency per operation by being a better match for the adiabatic scaling ru le. The performance analysis based on demonstrated ideas in physical science suggests 80,000 x improvement in cost per operation for the (arguably) gene ral purpose function of emulating neurons in Deep Learning.« less
Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.
Cawkwell, M J; Niklasson, Anders M N
2012-10-07
Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.
NASA Technical Reports Server (NTRS)
Kim, B. F.; Moorjani, K.; Phillips, T. E.; Adrian, F. J.; Bohandy, J.; Dolecek, Q. E.
1993-01-01
A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.
NASA Technical Reports Server (NTRS)
Mckay, Charles W.; Feagin, Terry; Bishop, Peter C.; Hallum, Cecil R.; Freedman, Glenn B.
1987-01-01
The principle focus of one of the RICIS (Research Institute for Computing and Information Systems) components is computer systems and software engineering in-the-large of the lifecycle of large, complex, distributed systems which: (1) evolve incrementally over a long time; (2) contain non-stop components; and (3) must simultaneously satisfy a prioritized balance of mission and safety critical requirements at run time. This focus is extremely important because of the contribution of the scaling direction problem to the current software crisis. The Computer Systems and Software Engineering (CSSE) component addresses the lifestyle issues of three environments: host, integration, and target.
STEREOMATRIX 3-D display system
DOE Office of Scientific and Technical Information (OSTI.GOV)
Whiteside, Stephen Earl
1973-08-01
STEREOMATRIX is a large-screen interactive 3-D laser display system which presents computer-generated wire figures stereoscopically. The presented image can be rotated, translated, and scaled by the system user and the perspective of the image is changed according to the position of the user. A cursor may be positioned in three dimensions to identify points and allows communication with the computer.
A Management Information System for Allocating, Monitoring and Reviewing Work Assignments.
1986-06-01
This thesis investigated the feasibility of developing a small scale management information system on a micro-computer. The working system was...ORSA journal. The management information system was designed using Ashton-Tate’s dBaseIII software. As designed, the system will operate on any...computer operating under microsoft’s Disk Operating System (MS-DOS). The user must provide his own dBaseIII software. A similar management information system could
Single-chip microprocessor that communicates directly using light
NASA Astrophysics Data System (ADS)
Sun, Chen; Wade, Mark T.; Lee, Yunsup; Orcutt, Jason S.; Alloatti, Luca; Georgas, Michael S.; Waterman, Andrew S.; Shainline, Jeffrey M.; Avizienis, Rimas R.; Lin, Sen; Moss, Benjamin R.; Kumar, Rajesh; Pavanello, Fabio; Atabaki, Amir H.; Cook, Henry M.; Ou, Albert J.; Leu, Jonathan C.; Chen, Yu-Hsin; Asanović, Krste; Ram, Rajeev J.; Popović, Miloš A.; Stojanović, Vladimir M.
2015-12-01
Data transport across short electrical wires is limited by both bandwidth and power density, which creates a performance bottleneck for semiconductor microchips in modern computer systems—from mobile phones to large-scale data centres. These limitations can be overcome by using optical communications based on chip-scale electronic-photonic systems enabled by silicon-based nanophotonic devices8. However, combining electronics and photonics on the same chip has proved challenging, owing to microchip manufacturing conflicts between electronics and photonics. Consequently, current electronic-photonic chips are limited to niche manufacturing processes and include only a few optical devices alongside simple circuits. Here we report an electronic-photonic system on a single chip integrating over 70 million transistors and 850 photonic components that work together to provide logic, memory, and interconnect functions. This system is a realization of a microprocessor that uses on-chip photonic devices to directly communicate with other chips using light. To integrate electronics and photonics at the scale of a microprocessor chip, we adopt a ‘zero-change’ approach to the integration of photonics. Instead of developing a custom process to enable the fabrication of photonics, which would complicate or eliminate the possibility of integration with state-of-the-art transistors at large scale and at high yield, we design optical devices using a standard microelectronics foundry process that is used for modern microprocessors. This demonstration could represent the beginning of an era of chip-scale electronic-photonic systems with the potential to transform computing system architectures, enabling more powerful computers, from network infrastructure to data centres and supercomputers.
Identity-Based Authentication for Cloud Computing
NASA Astrophysics Data System (ADS)
Li, Hongwei; Dai, Yuanshun; Tian, Ling; Yang, Haomiao
Cloud computing is a recently developed new technology for complex systems with massive-scale services sharing among numerous users. Therefore, authentication of both users and services is a significant issue for the trust and security of the cloud computing. SSL Authentication Protocol (SAP), once applied in cloud computing, will become so complicated that users will undergo a heavily loaded point both in computation and communication. This paper, based on the identity-based hierarchical model for cloud computing (IBHMCC) and its corresponding encryption and signature schemes, presented a new identity-based authentication protocol for cloud computing and services. Through simulation testing, it is shown that the authentication protocol is more lightweight and efficient than SAP, specially the more lightweight user side. Such merit of our model with great scalability is very suited to the massive-scale cloud.
Nishizawa, Hiroaki; Nishimura, Yoshifumi; Kobayashi, Masato; Irle, Stephan; Nakai, Hiromi
2016-08-05
The linear-scaling divide-and-conquer (DC) quantum chemical methodology is applied to the density-functional tight-binding (DFTB) theory to develop a massively parallel program that achieves on-the-fly molecular reaction dynamics simulations of huge systems from scratch. The functions to perform large scale geometry optimization and molecular dynamics with DC-DFTB potential energy surface are implemented to the program called DC-DFTB-K. A novel interpolation-based algorithm is developed for parallelizing the determination of the Fermi level in the DC method. The performance of the DC-DFTB-K program is assessed using a laboratory computer and the K computer. Numerical tests show the high efficiency of the DC-DFTB-K program, a single-point energy gradient calculation of a one-million-atom system is completed within 60 s using 7290 nodes of the K computer. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Extending the length and time scales of Gram-Schmidt Lyapunov vector computations
NASA Astrophysics Data System (ADS)
Costa, Anthony B.; Green, Jason R.
2013-08-01
Lyapunov vectors have found growing interest recently due to their ability to characterize systems out of thermodynamic equilibrium. The computation of orthogonal Gram-Schmidt vectors requires multiplication and QR decomposition of large matrices, which grow as N2 (with the particle count). This expense has limited such calculations to relatively small systems and short time scales. Here, we detail two implementations of an algorithm for computing Gram-Schmidt vectors. The first is a distributed-memory message-passing method using Scalapack. The second uses the newly-released MAGMA library for GPUs. We compare the performance of both codes for Lennard-Jones fluids from N=100 to 1300 between Intel Nahalem/Infiniband DDR and NVIDIA C2050 architectures. To our best knowledge, these are the largest systems for which the Gram-Schmidt Lyapunov vectors have been computed, and the first time their calculation has been GPU-accelerated. We conclude that Lyapunov vector calculations can be significantly extended in length and time by leveraging the power of GPU-accelerated linear algebra.
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.
Durant, Fallon; Lobo, Daniel; Hammelman, Jennifer
2016-01-01
Abstract Planaria are complex metazoans that repair damage to their bodies and cease remodeling when a correct anatomy has been achieved. This model system offers a unique opportunity to understand how large‐scale anatomical homeostasis emerges from the activities of individual cells. Much progress has been made on the molecular genetics of stem cell activity in planaria. However, recent data also indicate that the global pattern is regulated by physiological circuits composed of ionic and neurotransmitter signaling. Here, we overview the multi‐scale problem of understanding pattern regulation in planaria, with specific focus on bioelectric signaling via ion channels and gap junctions (electrical synapses), and computational efforts to extract explanatory models from functional and molecular data on regeneration. We present a perspective that interprets results in this fascinating field using concepts from dynamical systems theory and computational neuroscience. Serving as a tractable nexus between genetic, physiological, and computational approaches to pattern regulation, planarian pattern homeostasis harbors many deep insights for regenerative medicine, evolutionary biology, and engineering. PMID:27499881
The large-scale structure of software-intensive systems
Booch, Grady
2012-01-01
The computer metaphor is dominant in most discussions of neuroscience, but the semantics attached to that metaphor are often quite naive. Herein, we examine the ontology of software-intensive systems, the nature of their structure and the application of the computer metaphor to the metaphysical questions of self and causation. PMID:23386964
A Pilot-Scale Heat Recovery System for Computer Process Control Teaching and Research.
ERIC Educational Resources Information Center
Callaghan, P. J.; And Others
1988-01-01
Describes the experimental system and equipment including an interface box for displaying variables. Discusses features which make the circuit suitable for teaching and research in computing. Feedforward, decoupling, and adaptive control, examination of digital filtering, and a cascade loop are teaching experiments utilizing this rig. Diagrams and…
NASA Astrophysics Data System (ADS)
Plebe, Alice; Grasso, Giorgio
2016-12-01
This paper describes a system developed for the simulation of flames inside an open-source 3D computer graphic software, Blender, with the aim of analyzing in virtual reality scenarios of hazards in large-scale industrial plants. The advantages of Blender are of rendering at high resolution the very complex structure of large industrial plants, and of embedding a physical engine based on smoothed particle hydrodynamics. This particle system is used to evolve a simulated fire. The interaction of this fire with the components of the plant is computed using polyhedron separation distance, adopting a Voronoi-based strategy that optimizes the number of feature distance computations. Results on a real oil and gas refining industry are presented.
ATLAS and LHC computing on CRAY
NASA Astrophysics Data System (ADS)
Sciacca, F. G.; Haug, S.; ATLAS Collaboration
2017-10-01
Access and exploitation of large scale computing resources, such as those offered by general purpose HPC centres, is one important measure for ATLAS and the other Large Hadron Collider experiments in order to meet the challenge posed by the full exploitation of the future data within the constraints of flat budgets. We report on the effort of moving the Swiss WLCG T2 computing, serving ATLAS, CMS and LHCb, from a dedicated cluster to the large Cray systems at the Swiss National Supercomputing Centre CSCS. These systems do not only offer very efficient hardware, cooling and highly competent operators, but also have large backfill potentials due to size and multidisciplinary usage and potential gains due to economy at scale. Technical solutions, performance, expected return and future plans are discussed.
Equation-free multiscale computation: algorithms and applications.
Kevrekidis, Ioannis G; Samaey, Giovanni
2009-01-01
In traditional physicochemical modeling, one derives evolution equations at the (macroscopic, coarse) scale of interest; these are used to perform a variety of tasks (simulation, bifurcation analysis, optimization) using an arsenal of analytical and numerical techniques. For many complex systems, however, although one observes evolution at a macroscopic scale of interest, accurate models are only given at a more detailed (fine-scale, microscopic) level of description (e.g., lattice Boltzmann, kinetic Monte Carlo, molecular dynamics). Here, we review a framework for computer-aided multiscale analysis, which enables macroscopic computational tasks (over extended spatiotemporal scales) using only appropriately initialized microscopic simulation on short time and length scales. The methodology bypasses the derivation of macroscopic evolution equations when these equations conceptually exist but are not available in closed form-hence the term equation-free. We selectively discuss basic algorithms and underlying principles and illustrate the approach through representative applications. We also discuss potential difficulties and outline areas for future research.
Microphysics in the Multi-Scale Modeling Systems with Unified Physics
NASA Technical Reports Server (NTRS)
Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.
2011-01-01
In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the microphysics developments of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the heavy precipitation processes will be presented.
ERIC Educational Resources Information Center
Stifle, Jack
The PLATO IV computer-based instructional system consists of a large scale centrally located CDC 6400 computer and a large number of remote student terminals. This is a brief and general description of the proposed input/output hardware necessary to interface the student terminals with the computer's central processing unit (CPU) using available…
Scaling a Convection-Resolving RCM to Near-Global Scales
NASA Astrophysics Data System (ADS)
Leutwyler, D.; Fuhrer, O.; Chadha, T.; Kwasniewski, G.; Hoefler, T.; Lapillonne, X.; Lüthi, D.; Osuna, C.; Schar, C.; Schulthess, T. C.; Vogt, H.
2017-12-01
In the recent years, first decade-long kilometer-scale resolution RCM simulations have been performed on continental-scale computational domains. However, the size of the planet Earth is still an order of magnitude larger and thus the computational implications of performing global climate simulations at this resolution are challenging. We explore the gap between the currently established RCM simulations and global simulations by scaling the GPU accelerated version of the COSMO model to a near-global computational domain. To this end, the evolution of an idealized moist baroclinic wave has been simulated over the course of 10 days with a grid spacing of up to 930 m. The computational mesh employs 36'000 x 16'001 x 60 grid points and covers 98.4% of the planet's surface. The code shows perfect weak scaling up to 4'888 Nodes of the Piz Daint supercomputer and yields 0.043 simulated years per day (SYPD) which is approximately one seventh of the 0.2-0.3 SYPD required to conduct AMIP-type simulations. However, at half the resolution (1.9 km) we've observed 0.23 SYPD. Besides formation of frontal precipitating systems containing embedded explicitly-resolved convective motions, the simulations reveal a secondary instability that leads to cut-off warm-core cyclonic vortices in the cyclone's core, once the grid spacing is refined to the kilometer scale. The explicit representation of embedded moist convection and the representation of the previously unresolved instabilities exhibit a physically different behavior in comparison to coarser-resolution simulations. The study demonstrates that global climate simulations using kilometer-scale resolution are imminent and serves as a baseline benchmark for global climate model applications and future exascale supercomputing systems.
Multi-scale simulations of space problems with iPIC3D
NASA Astrophysics Data System (ADS)
Lapenta, Giovanni; Bettarini, Lapo; Markidis, Stefano
The implicit Particle-in-Cell method for the computer simulation of space plasma, and its im-plementation in a three-dimensional parallel code, called iPIC3D, are presented. The implicit integration in time of the Vlasov-Maxwell system removes the numerical stability constraints and enables kinetic plasma simulations at magnetohydrodynamics scales. Simulations of mag-netic reconnection in plasma are presented to show the effectiveness of the algorithm. In particular we will show a number of simulations done for large scale 3D systems using the physical mass ratio for Hydrogen. Most notably one simulation treats kinetically a box of tens of Earth radii in each direction and was conducted using about 16000 processors of the Pleiades NASA computer. The work is conducted in collaboration with the MMS-IDS theory team from University of Colorado (M. Goldman, D. Newman and L. Andersson). Reference: Stefano Markidis, Giovanni Lapenta, Rizwan-uddin Multi-scale simulations of plasma with iPIC3D Mathematics and Computers in Simulation, Available online 17 October 2009, http://dx.doi.org/10.1016/j.matcom.2009.08.038
A Reduced Order Model for Whole-Chip Thermal Analysis of Microfluidic Lab-on-a-Chip Systems
Wang, Yi; Song, Hongjun; Pant, Kapil
2013-01-01
This paper presents a Krylov subspace projection-based Reduced Order Model (ROM) for whole microfluidic chip thermal analysis, including conjugate heat transfer. Two key steps in the reduced order modeling procedure are described in detail, including (1) the acquisition of a 3D full-scale computational model in the state-space form to capture the dynamic thermal behavior of the entire microfluidic chip; and (2) the model order reduction using the Block Arnoldi algorithm to markedly lower the dimension of the full-scale model. Case studies using practically relevant thermal microfluidic chip are undertaken to establish the capability and to evaluate the computational performance of the reduced order modeling technique. The ROM is compared against the full-scale model and exhibits good agreement in spatiotemporal thermal profiles (<0.5% relative error in pertinent time scales) and over three orders-of-magnitude acceleration in computational speed. The salient model reusability and real-time simulation capability renders it amenable for operational optimization and in-line thermal control and management of microfluidic systems and devices. PMID:24443647
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.
It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less
Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.
2016-07-26
It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less
A scaling procedure for the response of an isolated system with high modal overlap factor
NASA Astrophysics Data System (ADS)
De Rosa, S.; Franco, F.
2008-10-01
The paper deals with a numerical approach that reduces some physical sizes of the solution domain to compute the dynamic response of an isolated system: it has been named Asymptotical Scaled Modal Analysis (ASMA). The proposed numerical procedure alters the input data needed to obtain the classic modal responses to increase the frequency band of validity of the discrete or continuous coordinates model through the definition of a proper scaling coefficient. It is demonstrated that the computational cost remains acceptable while the frequency range of analysis increases. Moreover, with reference to the flexural vibrations of a rectangular plate, the paper discusses the ASMA vs. the statistical energy analysis and the energy distribution approach. Some insights are also given about the limits of the scaling coefficient. Finally it is shown that the linear dynamic response, predicted with the scaling procedure, has the same quality and characteristics of the statistical energy analysis, but it can be useful when the system cannot be solved appropriately by the standard Statistical Energy Analysis (SEA).
Using Computing and Data Grids for Large-Scale Science and Engineering
NASA Technical Reports Server (NTRS)
Johnston, William E.
2001-01-01
We use the term "Grid" to refer to a software system that provides uniform and location independent access to geographically and organizationally dispersed, heterogeneous resources that are persistent and supported. These emerging data and computing Grids promise to provide a highly capable and scalable environment for addressing large-scale science problems. We describe the requirements for science Grids, the resulting services and architecture of NASA's Information Power Grid (IPG) and DOE's Science Grid, and some of the scaling issues that have come up in their implementation.
NASA Astrophysics Data System (ADS)
Gintautas, Vadas; Hubler, Alfred
2006-03-01
As worldwide computer resources increase in power and decrease in cost, real-time simulations of physical systems are becoming increasingly prevalent, from laboratory models to stock market projections and entire ``virtual worlds'' in computer games. Often, these systems are meticulously designed to match real-world systems as closely as possible. We study the limiting behavior of a virtual horizontally driven pendulum coupled to its real-world counterpart, where the interaction occurs on a time scale that is much shorter than the time scale of the dynamical system. We find that if the physical parameters of the virtual system match those of the real system within a certain tolerance, there is a qualitative change in the behavior of the two-pendulum system as the strength of the coupling is increased. Applications include a new method to measure the physical parameters of a real system and the use of resonance spectroscopy to refine a computer model. As virtual systems better approximate real ones, even very weak interactions may produce unexpected and dramatic behavior. The research is supported by the National Science Foundation Grant No. NSF PHY 01-40179, NSF DMS 03-25939 ITR, and NSF DGE 03-38215.
Army Maneuver Center of Excellence
2012-10-18
agreements throughout DoD DARPA, JIEDDO, DHS, FAA, DoE, NSA , NASA, SMDC, etc. Strategic Partnerships Benefit the Army Materiel Enterprise External... Neuroscience Network Sciences Hierarchical Computing Extreme Energy Science Autonomous Systems Technology Emerging Sciences Meso-scale (grain...scales • Improvements in Soldier-system overall performance → operational neuroscience and advanced simulation and training technologies
Experimental quantum computing to solve systems of linear equations.
Cai, X-D; Weedbrook, C; Su, Z-E; Chen, M-C; Gu, Mile; Zhu, M-J; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei
2013-06-07
Solving linear systems of equations is ubiquitous in all areas of science and engineering. With rapidly growing data sets, such a task can be intractable for classical computers, as the best known classical algorithms require a time proportional to the number of variables N. A recently proposed quantum algorithm shows that quantum computers could solve linear systems in a time scale of order log(N), giving an exponential speedup over classical computers. Here we realize the simplest instance of this algorithm, solving 2×2 linear equations for various input vectors on a quantum computer. We use four quantum bits and four controlled logic gates to implement every subroutine required, demonstrating the working principle of this algorithm.
Multigrid preconditioned conjugate-gradient method for large-scale wave-front reconstruction.
Gilles, Luc; Vogel, Curtis R; Ellerbroek, Brent L
2002-09-01
We introduce a multigrid preconditioned conjugate-gradient (MGCG) iterative scheme for computing open-loop wave-front reconstructors for extreme adaptive optics systems. We present numerical simulations for a 17-m class telescope with n = 48756 sensor measurement grid points within the aperture, which indicate that our MGCG method has a rapid convergence rate for a wide range of subaperture average slope measurement signal-to-noise ratios. The total computational cost is of order n log n. Hence our scheme provides for fast wave-front simulation and control in large-scale adaptive optics systems.
TSUNAMI Primer: A Primer for Sensitivity/Uncertainty Calculations with SCALE
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rearden, Bradley T; Mueller, Don; Bowman, Stephen M
2009-01-01
This primer presents examples in the application of the SCALE/TSUNAMI tools to generate k{sub eff} sensitivity data for one- and three-dimensional models using TSUNAMI-1D and -3D and to examine uncertainties in the computed k{sub eff} values due to uncertainties in the cross-section data used in their calculation. The proper use of unit cell data and need for confirming the appropriate selection of input parameters through direct perturbations are described. The uses of sensitivity and uncertainty data to identify and rank potential sources of computational bias in an application system and TSUNAMI tools for assessment of system similarity using sensitivity andmore » uncertainty criteria are demonstrated. Uses of these criteria in trending analyses to assess computational biases, bias uncertainties, and gap analyses are also described. Additionally, an application of the data adjustment tool TSURFER is provided, including identification of specific details of sources of computational bias.« less
Towards the computation of time-periodic inertial range dynamics
NASA Astrophysics Data System (ADS)
van Veen, L.; Vela-Martín, A.; Kawahara, G.
2018-04-01
We explore the possibility of computing simple invariant solutions, like travelling waves or periodic orbits, in Large Eddy Simulation (LES) on a periodic domain with constant external forcing. The absence of material boundaries and the simple forcing mechanism make this system a comparatively simple target for the study of turbulent dynamics through invariant solutions. We show, that in spite of the application of eddy viscosity the computations are still rather challenging and must be performed on GPU cards rather than conventional coupled CPUs. We investigate the onset of turbulence in this system by means of bifurcation analysis, and present a long-period, large-amplitude unstable periodic orbit that is filtered from a turbulent time series. Although this orbit is computed on a coarse grid, with only a small separation between the integral scale and the LES filter length, the periodic dynamics seem to capture a regeneration process of the large-scale vortices.
Numerical Technology for Large-Scale Computational Electromagnetics
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sharpe, R; Champagne, N; White, D
The key bottleneck of implicit computational electromagnetics tools for large complex geometries is the solution of the resulting linear system of equations. The goal of this effort was to research and develop critical numerical technology that alleviates this bottleneck for large-scale computational electromagnetics (CEM). The mathematical operators and numerical formulations used in this arena of CEM yield linear equations that are complex valued, unstructured, and indefinite. Also, simultaneously applying multiple mathematical modeling formulations to different portions of a complex problem (hybrid formulations) results in a mixed structure linear system, further increasing the computational difficulty. Typically, these hybrid linear systems aremore » solved using a direct solution method, which was acceptable for Cray-class machines but does not scale adequately for ASCI-class machines. Additionally, LLNL's previously existing linear solvers were not well suited for the linear systems that are created by hybrid implicit CEM codes. Hence, a new approach was required to make effective use of ASCI-class computing platforms and to enable the next generation design capabilities. Multiple approaches were investigated, including the latest sparse-direct methods developed by our ASCI collaborators. In addition, approaches that combine domain decomposition (or matrix partitioning) with general-purpose iterative methods and special purpose pre-conditioners were investigated. Special-purpose pre-conditioners that take advantage of the structure of the matrix were adapted and developed based on intimate knowledge of the matrix properties. Finally, new operator formulations were developed that radically improve the conditioning of the resulting linear systems thus greatly reducing solution time. The goal was to enable the solution of CEM problems that are 10 to 100 times larger than our previous capability.« less
Development of mpi_EPIC model for global agroecosystem modeling
Kang, Shujiang; Wang, Dali; Jeff A. Nichols; ...
2014-12-31
Models that address policy-maker concerns about multi-scale effects of food and bioenergy production systems are computationally demanding. We integrated the message passing interface algorithm into the process-based EPIC model to accelerate computation of ecosystem effects. Simulation performance was further enhanced by applying the Vampir framework. When this enhanced mpi_EPIC model was tested, total execution time for a global 30-year simulation of a switchgrass cropping system was shortened to less than 0.5 hours on a supercomputer. The results illustrate that mpi_EPIC using parallel design can balance simulation workloads and facilitate large-scale, high-resolution analysis of agricultural production systems, management alternatives and environmentalmore » effects.« less
Extreme-scale Algorithms and Solver Resilience
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dongarra, Jack
A widening gap exists between the peak performance of high-performance computers and the performance achieved by complex applications running on these platforms. Over the next decade, extreme-scale systems will present major new challenges to algorithm development that could amplify this mismatch in such a way that it prevents the productive use of future DOE Leadership computers due to the following; Extreme levels of parallelism due to multicore processors; An increase in system fault rates requiring algorithms to be resilient beyond just checkpoint/restart; Complex memory hierarchies and costly data movement in both energy and performance; Heterogeneous system architectures (mixing CPUs, GPUs,more » etc.); and Conflicting goals of performance, resilience, and power requirements.« less
NASA Astrophysics Data System (ADS)
Takasaki, Koichi
This paper presents a program for the multidisciplinary optimization and identification problem of the nonlinear model of large aerospace vehicle structures. The program constructs the global matrix of the dynamic system in the time direction by the p-version finite element method (pFEM), and the basic matrix for each pFEM node in the time direction is described by a sparse matrix similarly to the static finite element problem. The algorithm used by the program does not require the Hessian matrix of the objective function and so has low memory requirements. It also has a relatively low computational cost, and is suited to parallel computation. The program was integrated as a solver module of the multidisciplinary analysis system CUMuLOUS (Computational Utility for Multidisciplinary Large scale Optimization of Undense System) which is under development by the Aerospace Research and Development Directorate (ARD) of the Japan Aerospace Exploration Agency (JAXA).
Lampa, Samuel; Alvarsson, Jonathan; Spjuth, Ola
2016-01-01
Predictive modelling in drug discovery is challenging to automate as it often contains multiple analysis steps and might involve cross-validation and parameter tuning that create complex dependencies between tasks. With large-scale data or when using computationally demanding modelling methods, e-infrastructures such as high-performance or cloud computing are required, adding to the existing challenges of fault-tolerant automation. Workflow management systems can aid in many of these challenges, but the currently available systems are lacking in the functionality needed to enable agile and flexible predictive modelling. We here present an approach inspired by elements of the flow-based programming paradigm, implemented as an extension of the Luigi system which we name SciLuigi. We also discuss the experiences from using the approach when modelling a large set of biochemical interactions using a shared computer cluster.Graphical abstract.
Digital optical computers at the optoelectronic computing systems center
NASA Technical Reports Server (NTRS)
Jordan, Harry F.
1991-01-01
The Digital Optical Computing Program within the National Science Foundation Engineering Research Center for Opto-electronic Computing Systems has as its specific goal research on optical computing architectures suitable for use at the highest possible speeds. The program can be targeted toward exploiting the time domain because other programs in the Center are pursuing research on parallel optical systems, exploiting optical interconnection and optical devices and materials. Using a general purpose computing architecture as the focus, we are developing design techniques, tools and architecture for operation at the speed of light limit. Experimental work is being done with the somewhat low speed components currently available but with architectures which will scale up in speed as faster devices are developed. The design algorithms and tools developed for a general purpose, stored program computer are being applied to other systems such as optimally controlled optical communication networks.
Qubit-qubit interaction in quantum computers: errors and scaling laws
NASA Astrophysics Data System (ADS)
Gea-Banacloche, Julio R.
1998-07-01
This paper explores the limitations that interaction between the physical qubits making up a quantum computer may impose on the computer's performance. For computers using atoms as qubits, magnetic dipole-dipole interactions are likely to be dominant; various types of errors which they might introduce are considered here. The strength of the interaction may be reduce by increasing the distance between qubits, which in general will make the computer slower. For ion-chain based quantum computers the slowing down due to this effect is found to be generally more sever than that due to other causes. In particular, this effect alone would be enough to make these systems unacceptably slow for large-scale computation, whether they use the center of mass motion as the 'bus' or whether they do this via an optical cavity mode.
A performance evaluation of various coatings, substrate materials, and solar collector systems
NASA Technical Reports Server (NTRS)
Dolan, F. J.
1976-01-01
An experimental apparatus was constructed and utilized in conjunction with both a solar simulator and actual sunlight to test and evaluate various solar panel coatings, panel designs, and scaled-down collector subsystems. Data were taken by an automatic digital data acquisition system and reduced and printed by a computer system. The solar collector test setup, data acquisition system, and data reduction and printout systems were considered to have operated very satisfactorily. Test data indicated that there is a practical or useful limit in scaling down beyond which scaled-down testing cannot produce results comparable to results of larger scale tests. Test data are presented as are schematics and pictures of test equipment and test hardware.
AGIS: The ATLAS Grid Information System
NASA Astrophysics Data System (ADS)
Anisenkov, A.; Di Girolamo, A.; Klimentov, A.; Oleynik, D.; Petrosyan, A.; Atlas Collaboration
2014-06-01
ATLAS, a particle physics experiment at the Large Hadron Collider at CERN, produced petabytes of data annually through simulation production and tens of petabytes of data per year from the detector itself. The ATLAS computing model embraces the Grid paradigm and a high degree of decentralization and computing resources able to meet ATLAS requirements of petabytes scale data operations. In this paper we describe the ATLAS Grid Information System (AGIS), designed to integrate configuration and status information about resources, services and topology of the computing infrastructure used by the ATLAS Distributed Computing applications and services.
The computer program AQUASIM was used to model biological treatment of perchlorate-contaminated water using zero-valent iron corrosion as the hydrogen gas source. The laboratory-scale column was seeded with an autohydrogenotrophic microbial consortium previously shown to degrade ...
Computer-generated forces in distributed interactive simulation
NASA Astrophysics Data System (ADS)
Petty, Mikel D.
1995-04-01
Distributed Interactive Simulation (DIS) is an architecture for building large-scale simulation models from a set of independent simulator nodes communicating via a common network protocol. DIS is most often used to create a simulated battlefield for military training. Computer Generated Forces (CGF) systems control large numbers of autonomous battlefield entities in a DIS simulation using computer equipment and software rather than humans in simulators. CGF entities serve as both enemy forces and supplemental friendly forces in a DIS exercise. Research into various aspects of CGF systems is ongoing. Several CGF systems have been implemented.
NASA Astrophysics Data System (ADS)
McFall, Steve
1994-03-01
With the increase in business automation and the widespread availability and low cost of computer systems, law enforcement agencies have seen a corresponding increase in criminal acts involving computers. The examination of computer evidence is a new field of forensic science with numerous opportunities for research and development. Research is needed to develop new software utilities to examine computer storage media, expert systems capable of finding criminal activity in large amounts of data, and to find methods of recovering data from chemically and physically damaged computer storage media. In addition, defeating encryption and password protection of computer files is also a topic requiring more research and development.
Understanding I/O workload characteristics of a Peta-scale storage system
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kim, Youngjae; Gunasekaran, Raghul
2015-01-01
Understanding workload characteristics is critical for optimizing and improving the performance of current systems and software, and architecting new storage systems based on observed workload patterns. In this paper, we characterize the I/O workloads of scientific applications of one of the world s fastest high performance computing (HPC) storage cluster, Spider, at the Oak Ridge Leadership Computing Facility (OLCF). OLCF flagship petascale simulation platform, Titan, and other large HPC clusters, in total over 250 thousands compute cores, depend on Spider for their I/O needs. We characterize the system utilization, the demands of reads and writes, idle time, storage space utilization,more » and the distribution of read requests to write requests for the Peta-scale Storage Systems. From this study, we develop synthesized workloads, and we show that the read and write I/O bandwidth usage as well as the inter-arrival time of requests can be modeled as a Pareto distribution. We also study the I/O load imbalance problems using I/O performance data collected from the Spider storage system.« less
The snow system: A decentralized medical data processing system.
Bellika, Johan Gustav; Henriksen, Torje Starbo; Yigzaw, Kassaye Yitbarek
2015-01-01
Systems for large-scale reuse of electronic health record data is claimed to have the potential to transform the current health care delivery system. In principle three alternative solutions for reuse exist: centralized, data warehouse, and decentralized solutions. This chapter focuses on the decentralized system alternative. Decentralized systems may be categorized into approaches that move data to enable computations or move computations to the where data is located to enable computations. We describe a system that moves computations to where the data is located. Only this kind of decentralized solution has the capabilities to become ideal systems for reuse as the decentralized alternative enables computation and reuse of electronic health record data without moving or exposing the information to outsiders. This chapter describes the Snow system, which is a decentralized medical data processing system, its components and how it has been used. It also describes the requirements this kind of systems need to support to become sustainable and successful in recruiting voluntary participation from health institutions.
A comment on the use of flushing time, residence time, and age as transport time scales
Monsen, N.E.; Cloern, J.E.; Lucas, L.V.; Monismith, Stephen G.
2002-01-01
Applications of transport time scales are pervasive in biological, hydrologic, and geochemical studies yet these times scales are not consistently defined and applied with rigor in the literature. We compare three transport time scales (flushing time, age, and residence time) commonly used to measure the retention of water or scalar quantities transported with water. We identify the underlying assumptions associated with each time scale, describe procedures for computing these time scales in idealized cases, and identify pitfalls when real-world systems deviate from these idealizations. We then apply the time scale definitions to a shallow 378 ha tidal lake to illustrate how deviations between real water bodies and the idealized examples can result from: (1) non-steady flow; (2) spatial variability in bathymetry, circulation, and transport time scales; and (3) tides that introduce complexities not accounted for in the idealized cases. These examples illustrate that no single transport time scale is valid for all time periods, locations, and constituents, and no one time scale describes all transport processes. We encourage aquatic scientists to rigorously define the transport time scale when it is applied, identify the underlying assumptions in the application of that concept, and ask if those assumptions are valid in the application of that approach for computing transport time scales in real systems.
NASA Technical Reports Server (NTRS)
Morgan, R. P.; Singh, J. P.; Rothenberg, D.; Robinson, B. E.
1975-01-01
The needs to be served, the subsectors in which the system might be used, the technology employed, and the prospects for future utilization of an educational telecommunications delivery system are described and analyzed. Educational subsectors are analyzed with emphasis on the current status and trends within each subsector. Issues which affect future development, and prospects for future use of media, technology, and large-scale electronic delivery within each subsector are included. Information on technology utilization is presented. Educational telecommunications services are identified and grouped into categories: public television and radio, instructional television, computer aided instruction, computer resource sharing, and information resource sharing. Technology based services, their current utilization, and factors which affect future development are stressed. The role of communications satellites in providing these services is discussed. Efforts to analyze and estimate future utilization of large-scale educational telecommunications are summarized. Factors which affect future utilization are identified. Conclusions are presented.
Hybrid reduced order modeling for assembly calculations
Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; ...
2015-08-14
While the accuracy of assembly calculations has greatly improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the usemore » of the reduced order modeling for a single physics code, such as a radiation transport calculation. This paper extends those works to coupled code systems as currently employed in assembly calculations. Finally, numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.« less
Analysis of Delays in Transmitting Time Code Using an Automated Computer Time Distribution System
1999-12-01
jlevine@clock. bldrdoc.gov Abstract An automated computer time distribution system broadcasts standard tune to users using computers and modems via...contributed to &lays - sofhareplatform (50% of the delay), transmission speed of time- codes (25OA), telephone network (lS%), modem and others (10’4). The... modems , and telephone lines. Users dial the ACTS server to receive time traceable to the national time scale of Singapore, UTC(PSB). The users can in
NASA Astrophysics Data System (ADS)
Strayer, Michael
2007-09-01
Good morning. Welcome to Boston, the home of the Red Sox, Celtics and Bruins, baked beans, tea parties, Robert Parker, and SciDAC 2007. A year ago I stood before you to share the legacy of the first SciDAC program and identify the challenges that we must address on the road to petascale computing—a road E E Cummins described as `. . . never traveled, gladly beyond any experience.' Today, I want to explore the preparations for the rapidly approaching extreme scale (X-scale) generation. These preparations are the first step propelling us along the road of burgeoning scientific discovery enabled by the application of X- scale computing. We look to petascale computing and beyond to open up a world of discovery that cuts across scientific fields and leads us to a greater understanding of not only our world, but our universe. As part of the President's America Competitiveness Initiative, the ASCR Office has been preparing a ten year vision for computing. As part of this planning the LBNL together with ORNL and ANL hosted three town hall meetings on Simulation and Modeling at the Exascale for Energy, Ecological Sustainability and Global Security (E3). The proposed E3 initiative is organized around four programmatic themes: Engaging our top scientists, engineers, computer scientists and applied mathematicians; investing in pioneering large-scale science; developing scalable analysis algorithms, and storage architectures to accelerate discovery; and accelerating the build-out and future development of the DOE open computing facilities. It is clear that we have only just started down the path to extreme scale computing. Plan to attend Thursday's session on the out-briefing and discussion of these meetings. The road to the petascale has been at best rocky. In FY07, the continuing resolution provided 12% less money for Advanced Scientific Computing than either the President, the Senate, or the House. As a consequence, many of you had to absorb a no cost extension for your SciDAC work. I am pleased that the President's FY08 budget restores the funding for SciDAC. Quoting from Advanced Scientific Computing Research description in the House Energy and Water Development Appropriations Bill for FY08, "Perhaps no other area of research at the Department is so critical to sustaining U.S. leadership in science and technology, revolutionizing the way science is done and improving research productivity." As a society we need to revolutionize our approaches to energy, environmental and global security challenges. As we go forward along the road to the X-scale generation, the use of computation will continue to be a critical tool along with theory and experiment in understanding the behavior of the fundamental components of nature as well as for fundamental discovery and exploration of the behavior of complex systems. The foundation to overcome these societal challenges will build from the experiences and knowledge gained as you, members of our SciDAC research teams, work together to attack problems at the tera- and peta- scale. If SciDAC is viewed as an experiment for revolutionizing scientific methodology, then a strategic goal of ASCR program must be to broaden the intellectual base prepared to address the challenges of the new X-scale generation of computing. We must focus our computational science experiences gained over the past five years on the opportunities introduced with extreme scale computing. Our facilities are on a path to provide the resources needed to undertake the first part of our journey. Using the newly upgraded 119 teraflop Cray XT system at the Leadership Computing Facility, SciDAC research teams have in three days performed a 100-year study of the time evolution of the atmospheric CO2 concentration originating from the land surface. The simulation of the El Nino/Southern Oscillation which was part of this study has been characterized as `the most impressive new result in ten years' gained new insight into the behavior of superheated ionic gas in the ITER reactor as a result of an AORSA run on 22,500 processors that achieved over 87 trillion calculations per second (87 teraflops) which is 74% of the system's theoretical peak. Tomorrow, Argonne and IBM will announce that the first IBM Blue Gene/P, a 100 teraflop system, will be shipped to the Argonne Leadership Computing Facility later this fiscal year. By the end of FY2007 ASCR high performance and leadership computing resources will include the 114 teraflop IBM Blue Gene/P; a 102 teraflop Cray XT4 at NERSC and a 119 teraflop Cray XT system at Oak Ridge. Before ringing in the New Year, Oak Ridge will upgrade to 250 teraflops with the replacement of the dual core processors with quad core processors and Argonne will upgrade to between 250-500 teraflops, and next year, a petascale Cray Baker system is scheduled for delivery at Oak Ridge. The multidisciplinary teams in our SciDAC Centers for Enabling Technologies and our SciDAC Institutes must continue to work with our Scientific Application teams to overcome the barriers that prevent effective use of these new systems. These challenges include: the need for new algorithms as well as operating system and runtime software and tools which scale to parallel systems composed of hundreds of thousands processors; program development environments and tools which scale effectively and provide ease of use for developers and scientific end users; and visualization and data management systems that support moving, storing, analyzing, manipulating and visualizing multi-petabytes of scientific data and objects. The SciDAC Centers, located primarily at our DOE national laboratories will take the lead in ensuring that critical computer science and applied mathematics issues are addressed in a timely and comprehensive fashion and to address issues associated with research software lifecycle. In contrast, the SciDAC Institutes, which are university-led centers of excellence, will have more flexibility to pursue new research topics through a range of research collaborations. The Institutes will also work to broaden the intellectual and researcher base—conducting short courses and summer schools to take advantage of new high performance computing capabilities. The SciDAC Outreach Center at Lawrence Berkeley National Laboratory complements the outreach efforts of the SciDAC Institutes. The Outreach Center is our clearinghouse for SciDAC activities and resources and will communicate with the high performance computing community in part to understand their needs for workshops, summer schools and institutes. SciDAC is not ASCR's only effort to broaden the computational science community needed to meet the challenges of the new X-scale generation. I hope that you were able to attend the Computational Science Graduate Fellowship poster session last night. ASCR developed the fellowship in 1991 to meet the nation's growing need for scientists and technology professionals with advanced computer skills. CSGF, now jointly funded between ASCR and NNSA, is more than a traditional academic fellowship. It has provided more than 200 of the best and brightest graduate students with guidance, support and community in preparing them as computational scientists. Today CSGF alumni are bringing their diverse top-level skills and knowledge to research teams at DOE laboratories and in industries such as Proctor and Gamble, Lockheed Martin and Intel. At universities they are working to train the next generation of computational scientists. To build on this success, we intend to develop a wholly new Early Career Principal Investigator's (ECPI) program. Our objective is to stimulate academic research in scientific areas within ASCR's purview especially among faculty in early stages of their academic careers. Last February, we lost Ken Kennedy, one of the leading lights of our community. As we move forward into the extreme computing generation, his vision and insight will be greatly missed. In memorial to Ken Kennedy, we shall designate the ECPI grants to beginning faculty in Computer Science as the Ken Kennedy Fellowship. Watch the ASCR website for more information about ECPI and other early career programs in the computational sciences. We look to you, our scientists, researchers, and visionaries to take X-scale computing and use it to explode scientific discovery in your fields. We at SciDAC will work to ensure that this tool is the sharpest and most precise and efficient instrument to carve away the unknown and reveal the most exciting secrets and stimulating scientific discoveries of our time. The partnership between research and computing is the marriage that will spur greater discovery, and as Spencer said to Susan in Robert Parker's novel, `Sudden Mischief', `We stick together long enough, and we may get as smart as hell'. Michael Strayer
Topics in programmable automation. [for materials handling, inspection, and assembly
NASA Technical Reports Server (NTRS)
Rosen, C. A.
1975-01-01
Topics explored in the development of integrated programmable automation systems include: numerically controlled and computer controlled machining; machine intelligence and the emulation of human-like capabilities; large scale semiconductor integration technology applications; and sensor technology for asynchronous local computation without burdening the executive minicomputer which controls the whole system. The role and development of training aids, and the potential application of these aids to augmented teleoperator systems are discussed.
Large-Scale Simulations of Plastic Neural Networks on Neuromorphic Hardware
Knight, James C.; Tully, Philip J.; Kaplan, Bernhard A.; Lansner, Anders; Furber, Steve B.
2016-01-01
SpiNNaker is a digital, neuromorphic architecture designed for simulating large-scale spiking neural networks at speeds close to biological real-time. Rather than using bespoke analog or digital hardware, the basic computational unit of a SpiNNaker system is a general-purpose ARM processor, allowing it to be programmed to simulate a wide variety of neuron and synapse models. This flexibility is particularly valuable in the study of biological plasticity phenomena. A recently proposed learning rule based on the Bayesian Confidence Propagation Neural Network (BCPNN) paradigm offers a generic framework for modeling the interaction of different plasticity mechanisms using spiking neurons. However, it can be computationally expensive to simulate large networks with BCPNN learning since it requires multiple state variables for each synapse, each of which needs to be updated every simulation time-step. We discuss the trade-offs in efficiency and accuracy involved in developing an event-based BCPNN implementation for SpiNNaker based on an analytical solution to the BCPNN equations, and detail the steps taken to fit this within the limited computational and memory resources of the SpiNNaker architecture. We demonstrate this learning rule by learning temporal sequences of neural activity within a recurrent attractor network which we simulate at scales of up to 2.0 × 104 neurons and 5.1 × 107 plastic synapses: the largest plastic neural network ever to be simulated on neuromorphic hardware. We also run a comparable simulation on a Cray XC-30 supercomputer system and find that, if it is to match the run-time of our SpiNNaker simulation, the super computer system uses approximately 45× more power. This suggests that cheaper, more power efficient neuromorphic systems are becoming useful discovery tools in the study of plasticity in large-scale brain models. PMID:27092061
Concurrent Validity of the "Working with Others Scale" of the ICIS Employment Interview System
ERIC Educational Resources Information Center
Cassidy, Martha W.
2011-01-01
The purpose of this study was to determine if the Working with Others Scale from the American Association of School Personnel Administrators (AASPA) Interactive Computer Interview System (ICIS) was a valid predictor of practicing teachers' interpersonal skills and abilities to work well with colleagues. Participants in the study were all employed…
McrEngine: A Scalable Checkpointing System Using Data-Aware Aggregation and Compression
Islam, Tanzima Zerin; Mohror, Kathryn; Bagchi, Saurabh; ...
2013-01-01
High performance computing (HPC) systems use checkpoint-restart to tolerate failures. Typically, applications store their states in checkpoints on a parallel file system (PFS). As applications scale up, checkpoint-restart incurs high overheads due to contention for PFS resources. The high overheads force large-scale applications to reduce checkpoint frequency, which means more compute time is lost in the event of failure. We alleviate this problem through a scalable checkpoint-restart system, mcrEngine. McrEngine aggregates checkpoints from multiple application processes with knowledge of the data semantics available through widely-used I/O libraries, e.g., HDF5 and netCDF, and compresses them. Our novel scheme improves compressibility ofmore » checkpoints up to 115% over simple concatenation and compression. Our evaluation with large-scale application checkpoints show that mcrEngine reduces checkpointing overhead by up to 87% and restart overhead by up to 62% over a baseline with no aggregation or compression.« less
Simulation framework for intelligent transportation systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ewing, T.; Doss, E.; Hanebutte, U.
1996-10-01
A simulation framework has been developed for a large-scale, comprehensive, scaleable simulation of an Intelligent Transportation System (ITS). The simulator is designed for running on parallel computers and distributed (networked) computer systems, but can run on standalone workstations for smaller simulations. The simulator currently models instrumented smart vehicles with in-vehicle navigation units capable of optimal route planning and Traffic Management Centers (TMC). The TMC has probe vehicle tracking capabilities (display position and attributes of instrumented vehicles), and can provide two-way interaction with traffic to provide advisories and link times. Both the in-vehicle navigation module and the TMC feature detailed graphicalmore » user interfaces to support human-factors studies. Realistic modeling of variations of the posted driving speed are based on human factors studies that take into consideration weather, road conditions, driver personality and behavior, and vehicle type. The prototype has been developed on a distributed system of networked UNIX computers but is designed to run on parallel computers, such as ANL`s IBM SP-2, for large-scale problems. A novel feature of the approach is that vehicles are represented by autonomous computer processes which exchange messages with other processes. The vehicles have a behavior model which governs route selection and driving behavior, and can react to external traffic events much like real vehicles. With this approach, the simulation is scaleable to take advantage of emerging massively parallel processor (MPP) systems.« less
Jung, Yousung; Shao, Yihan; Head-Gordon, Martin
2007-09-01
The scaled opposite spin Møller-Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, in a statistical sense, of higher quality than standard MP2 theory, by introducing one empirical parameter. But SOS-MP2 still has a fourth-order scaling step that makes the method inapplicable to very large molecular systems. We reduce the scaling of SOS-MP2 by exploiting the sparsity of expansion coefficients and local integral matrices, by performing local auxiliary basis expansions for the occupied-virtual product distributions. To exploit sparsity of 3-index local quantities, we use a blocking scheme in which entire zero-rows and columns, for a given third global index, are deleted by comparison against a numerical threshold. This approach minimizes sparse matrix book-keeping overhead, and also provides sufficiently large submatrices after blocking, to allow efficient matrix-matrix multiplies. The resulting algorithm is formally cubic scaling, and requires only moderate computational resources (quadratic memory and disk space) and, in favorable cases, is shown to yield effective quadratic scaling behavior in the size regime we can apply it to. Errors associated with local fitting using the attenuated Coulomb metric and numerical thresholds in the blocking procedure are found to be insignificant in terms of the predicted relative energies. A diverse set of test calculations shows that the size of system where significant computational savings can be achieved depends strongly on the dimensionality of the system, and the extent of localizability of the molecular orbitals. Copyright 2007 Wiley Periodicals, Inc.
NASA Technical Reports Server (NTRS)
1983-01-01
Drones, subscale vehicles like the Firebees, and full scale retired military aircraft are used to test air defense missile systems. The DFCS (Drone Formation Control System) computer, developed by IBM (International Business Machines) Federal Systems Division, can track ten drones at once. A program called ORACLS is used to generate software to track and control Drones. It was originally developed by Langley and supplied by COSMIC (Computer Software Management and Information Center). The program saved the company both time and money.
NASA Technical Reports Server (NTRS)
Cushman, Paula P.
1993-01-01
Research will be undertaken in this contract in the area of Modeling Resource and Facilities Enhancement to include computer, technical and educational support to NASA investigators to facilitate model implementation, execution and analysis of output; to provide facilities linking USRA and the NASA/EADS Computer System as well as resident work stations in ESAD; and to provide a centralized location for documentation, archival and dissemination of modeling information pertaining to NASA's program. Additional research will be undertaken in the area of Numerical Model Scale Interaction/Convective Parameterization Studies to include implementation of the comparison of cloud and rain systems and convective-scale processes between the model simulations and what was observed; and to incorporate the findings of these and related research findings in at least two refereed journal articles.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Shorgin, Sergey Ya.; Pechinkin, Alexander V.; Samouylov, Konstantin E.
Cloud computing is promising technology to manage and improve utilization of computing center resources to deliver various computing and IT services. For the purpose of energy saving there is no need to unnecessarily operate many servers under light loads, and they are switched off. On the other hand, some servers should be switched on in heavy load cases to prevent very long delays. Thus, waiting times and system operating cost can be maintained on acceptable level by dynamically adding or removing servers. One more fact that should be taken into account is significant server setup costs and activation times. Formore » better energy efficiency, cloud computing system should not react on instantaneous increase or instantaneous decrease of load. That is the main motivation for using queuing systems with hysteresis for cloud computing system modelling. In the paper, we provide a model of cloud computing system in terms of multiple server threshold-based infinite capacity queuing system with hysteresis and noninstantanuous server activation. For proposed model, we develop a method for computing steady-state probabilities that allow to estimate a number of performance measures.« less
Cockrell, Robert Chase; Christley, Scott; Chang, Eugene; An, Gary
2015-01-01
Perhaps the greatest challenge currently facing the biomedical research community is the ability to integrate highly detailed cellular and molecular mechanisms to represent clinical disease states as a pathway to engineer effective therapeutics. This is particularly evident in the representation of organ-level pathophysiology in terms of abnormal tissue structure, which, through histology, remains a mainstay in disease diagnosis and staging. As such, being able to generate anatomic scale simulations is a highly desirable goal. While computational limitations have previously constrained the size and scope of multi-scale computational models, advances in the capacity and availability of high-performance computing (HPC) resources have greatly expanded the ability of computational models of biological systems to achieve anatomic, clinically relevant scale. Diseases of the intestinal tract are exemplary examples of pathophysiological processes that manifest at multiple scales of spatial resolution, with structural abnormalities present at the microscopic, macroscopic and organ-levels. In this paper, we describe a novel, massively parallel computational model of the gut, the Spatially Explicitly General-purpose Model of Enteric Tissue_HPC (SEGMEnT_HPC), which extends an existing model of the gut epithelium, SEGMEnT, in order to create cell-for-cell anatomic scale simulations. We present an example implementation of SEGMEnT_HPC that simulates the pathogenesis of ileal pouchitis, and important clinical entity that affects patients following remedial surgery for ulcerative colitis.
Implementation of AN Unmanned Aerial Vehicle System for Large Scale Mapping
NASA Astrophysics Data System (ADS)
Mah, S. B.; Cryderman, C. S.
2015-08-01
Unmanned Aerial Vehicles (UAVs), digital cameras, powerful personal computers, and software have made it possible for geomatics professionals to capture aerial photographs and generate digital terrain models and orthophotographs without using full scale aircraft or hiring mapping professionals. This has been made possible by the availability of miniaturized computers and sensors, and software which has been driven, in part, by the demand for this technology in consumer items such as smartphones. The other force that is in play is the increasing number of Do-It-Yourself (DIY) people who are building UAVs as a hobby or for professional use. Building a UAV system for mapping is an alternative to purchasing a turnkey system. This paper describes factors to be considered when building a UAV mapping system, the choices made, and the test results of a project using this completed system.
The future of PanDA in ATLAS distributed computing
NASA Astrophysics Data System (ADS)
De, K.; Klimentov, A.; Maeno, T.; Nilsson, P.; Oleynik, D.; Panitkin, S.; Petrosyan, A.; Schovancova, J.; Vaniachine, A.; Wenaus, T.
2015-12-01
Experiments at the Large Hadron Collider (LHC) face unprecedented computing challenges. Heterogeneous resources are distributed worldwide at hundreds of sites, thousands of physicists analyse the data remotely, the volume of processed data is beyond the exabyte scale, while data processing requires more than a few billion hours of computing usage per year. The PanDA (Production and Distributed Analysis) system was developed to meet the scale and complexity of LHC distributed computing for the ATLAS experiment. In the process, the old batch job paradigm of locally managed computing in HEP was discarded in favour of a far more automated, flexible and scalable model. The success of PanDA in ATLAS is leading to widespread adoption and testing by other experiments. PanDA is the first exascale workload management system in HEP, already operating at more than a million computing jobs per day, and processing over an exabyte of data in 2013. There are many new challenges that PanDA will face in the near future, in addition to new challenges of scale, heterogeneity and increasing user base. PanDA will need to handle rapidly changing computing infrastructure, will require factorization of code for easier deployment, will need to incorporate additional information sources including network metrics in decision making, be able to control network circuits, handle dynamically sized workload processing, provide improved visualization, and face many other challenges. In this talk we will focus on the new features, planned or recently implemented, that are relevant to the next decade of distributed computing workload management using PanDA.
Extending the length and time scales of Gram–Schmidt Lyapunov vector computations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Costa, Anthony B., E-mail: acosta@northwestern.edu; Green, Jason R., E-mail: jason.green@umb.edu; Department of Chemistry, University of Massachusetts Boston, Boston, MA 02125
Lyapunov vectors have found growing interest recently due to their ability to characterize systems out of thermodynamic equilibrium. The computation of orthogonal Gram–Schmidt vectors requires multiplication and QR decomposition of large matrices, which grow as N{sup 2} (with the particle count). This expense has limited such calculations to relatively small systems and short time scales. Here, we detail two implementations of an algorithm for computing Gram–Schmidt vectors. The first is a distributed-memory message-passing method using Scalapack. The second uses the newly-released MAGMA library for GPUs. We compare the performance of both codes for Lennard–Jones fluids from N=100 to 1300 betweenmore » Intel Nahalem/Infiniband DDR and NVIDIA C2050 architectures. To our best knowledge, these are the largest systems for which the Gram–Schmidt Lyapunov vectors have been computed, and the first time their calculation has been GPU-accelerated. We conclude that Lyapunov vector calculations can be significantly extended in length and time by leveraging the power of GPU-accelerated linear algebra.« less
Computational Study of the Genomic and Epigenomic Phenomena
NASA Astrophysics Data System (ADS)
Yang, Wenjing
Biological systems are perhaps the ultimate complex systems, uniquely capable of processing and communicating information, reproducing in their lifetimes, and adapting in evolutionary time scales. My dissertation research focuses on using computational approaches to understand the biocomplexity manifested in the multitude of length scales and time scales. At the molecular and cellular level, central to the complex behavior of a biological system is the regulatory network. My research study focused on epigenetics, which is essential for multicellular organisms to establish cellular identity during development or in response to intracellular and environmental stimuli. My computational study of epigenomics is greatly facilitated by recent advances in high-throughput sequencing technology, which enables high-resolution snapshots of epigenomes and transcriptomes. Using human CD4+ T cell as a model system, the dynamical changes in epigenome and transcriptome pertinent to T cell activation were investigated at the genome scale. Going beyond traditional focus on transcriptional regulation, I provided evidences that post-transcriptional regulation may serve as a major component of the regulatory network. In addition, I explored alternative polyadenylation, another novel aspect of gene regulation, and how it cross-talks with the local chromatin structure. As the renowned theoretical biologist Theodosius Dobzhansky said eloquently, "Nothing in biology makes sense except in the light of evolution''. To better understand this ubiquitous driving force in the biological world, I went beyond molecular events in a single organism, and investigated the dynamical changes of population structure along the evolutionary time scale. To this end, we used HIV virus population dynamics in the host immune system as a model system. The evolution of HIV viral population plays a key role in AIDS immunopathogenesis with its exceptionally high mutation rate. However, the theoretical studies of the effect of recombination have been rather limited. Given the phylogenetic and experimental evidences for the high recombination rate and its important role in HIV evolution and epidemics, I established a mathematical model to study the effect of recombination, and explored the complex behavior of this dynamics system.
A large-scale computer facility for computational aerodynamics
NASA Technical Reports Server (NTRS)
Bailey, F. R.; Ballhaus, W. F., Jr.
1985-01-01
As a result of advances related to the combination of computer system technology and numerical modeling, computational aerodynamics has emerged as an essential element in aerospace vehicle design methodology. NASA has, therefore, initiated the Numerical Aerodynamic Simulation (NAS) Program with the objective to provide a basis for further advances in the modeling of aerodynamic flowfields. The Program is concerned with the development of a leading-edge, large-scale computer facility. This facility is to be made available to Government agencies, industry, and universities as a necessary element in ensuring continuing leadership in computational aerodynamics and related disciplines. Attention is given to the requirements for computational aerodynamics, the principal specific goals of the NAS Program, the high-speed processor subsystem, the workstation subsystem, the support processing subsystem, the graphics subsystem, the mass storage subsystem, the long-haul communication subsystem, the high-speed data-network subsystem, and software.
NASA Astrophysics Data System (ADS)
Thompson, Kyle Bonner
An algorithm is described to efficiently compute aerothermodynamic design sensitivities using a decoupled variable set. In a conventional approach to computing design sensitivities for reacting flows, the species continuity equations are fully coupled to the conservation laws for momentum and energy. In this algorithm, the species continuity equations are solved separately from the mixture continuity, momentum, and total energy equations. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This decoupled approach for computing design sensitivities with the adjoint system is demonstrated for inviscid flow in chemical non-equilibrium around a re-entry vehicle with a retro-firing annular nozzle. The sensitivities of the surface temperature and mass flow rate through the nozzle plenum are computed with respect to plenum conditions and verified against sensitivities computed using a complex-variable finite-difference approach. The decoupled scheme significantly reduces the computational time and memory required to complete the optimization, making this an attractive method for high-fidelity design of hypersonic vehicles.
Chen, Qingkui; Zhao, Deyu; Wang, Jingjuan
2017-01-01
This paper aims to develop a low-cost, high-performance and high-reliability computing system to process large-scale data using common data mining algorithms in the Internet of Things (IoT) computing environment. Considering the characteristics of IoT data processing, similar to mainstream high performance computing, we use a GPU (Graphics Processing Unit) cluster to achieve better IoT services. Firstly, we present an energy consumption calculation method (ECCM) based on WSNs. Then, using the CUDA (Compute Unified Device Architecture) Programming model, we propose a Two-level Parallel Optimization Model (TLPOM) which exploits reasonable resource planning and common compiler optimization techniques to obtain the best blocks and threads configuration considering the resource constraints of each node. The key to this part is dynamic coupling Thread-Level Parallelism (TLP) and Instruction-Level Parallelism (ILP) to improve the performance of the algorithms without additional energy consumption. Finally, combining the ECCM and the TLPOM, we use the Reliable GPU Cluster Architecture (RGCA) to obtain a high-reliability computing system considering the nodes’ diversity, algorithm characteristics, etc. The results show that the performance of the algorithms significantly increased by 34.1%, 33.96% and 24.07% for Fermi, Kepler and Maxwell on average with TLPOM and the RGCA ensures that our IoT computing system provides low-cost and high-reliability services. PMID:28777325
Fang, Yuling; Chen, Qingkui; Xiong, Neal N; Zhao, Deyu; Wang, Jingjuan
2017-08-04
This paper aims to develop a low-cost, high-performance and high-reliability computing system to process large-scale data using common data mining algorithms in the Internet of Things (IoT) computing environment. Considering the characteristics of IoT data processing, similar to mainstream high performance computing, we use a GPU (Graphics Processing Unit) cluster to achieve better IoT services. Firstly, we present an energy consumption calculation method (ECCM) based on WSNs. Then, using the CUDA (Compute Unified Device Architecture) Programming model, we propose a Two-level Parallel Optimization Model (TLPOM) which exploits reasonable resource planning and common compiler optimization techniques to obtain the best blocks and threads configuration considering the resource constraints of each node. The key to this part is dynamic coupling Thread-Level Parallelism (TLP) and Instruction-Level Parallelism (ILP) to improve the performance of the algorithms without additional energy consumption. Finally, combining the ECCM and the TLPOM, we use the Reliable GPU Cluster Architecture (RGCA) to obtain a high-reliability computing system considering the nodes' diversity, algorithm characteristics, etc. The results show that the performance of the algorithms significantly increased by 34.1%, 33.96% and 24.07% for Fermi, Kepler and Maxwell on average with TLPOM and the RGCA ensures that our IoT computing system provides low-cost and high-reliability services.
Computational Science at the Argonne Leadership Computing Facility
NASA Astrophysics Data System (ADS)
Romero, Nichols
2014-03-01
The goal of the Argonne Leadership Computing Facility (ALCF) is to extend the frontiers of science by solving problems that require innovative approaches and the largest-scale computing systems. ALCF's most powerful computer - Mira, an IBM Blue Gene/Q system - has nearly one million cores. How does one program such systems? What software tools are available? Which scientific and engineering applications are able to utilize such levels of parallelism? This talk will address these questions and describe a sampling of projects that are using ALCF systems in their research, including ones in nanoscience, materials science, and chemistry. Finally, the ways to gain access to ALCF resources will be presented. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357.
NASA Astrophysics Data System (ADS)
Jia, Weile; Wang, Jue; Chi, Xuebin; Wang, Lin-Wang
2017-02-01
LS3DF, namely linear scaling three-dimensional fragment method, is an efficient linear scaling ab initio total energy electronic structure calculation code based on a divide-and-conquer strategy. In this paper, we present our GPU implementation of the LS3DF code. Our test results show that the GPU code can calculate systems with about ten thousand atoms fully self-consistently in the order of 10 min using thousands of computing nodes. This makes the electronic structure calculations of 10,000-atom nanosystems routine work. This speed is 4.5-6 times faster than the CPU calculations using the same number of nodes on the Titan machine in the Oak Ridge leadership computing facility (OLCF). Such speedup is achieved by (a) carefully re-designing of the computationally heavy kernels; (b) redesign of the communication pattern for heterogeneous supercomputers.
NASA Astrophysics Data System (ADS)
Schwegler, Eric; Challacombe, Matt; Head-Gordon, Martin
1997-06-01
A new linear scaling method for computation of the Cartesian Gaussian-based Hartree-Fock exchange matrix is described, which employs a method numerically equivalent to standard direct SCF, and which does not enforce locality of the density matrix. With a previously described method for computing the Coulomb matrix [J. Chem. Phys. 106, 5526 (1997)], linear scaling incremental Fock builds are demonstrated for the first time. Microhartree accuracy and linear scaling are achieved for restricted Hartree-Fock calculations on sequences of water clusters and polyglycine α-helices with the 3-21G and 6-31G basis sets. Eightfold speedups are found relative to our previous method. For systems with a small ionization potential, such as graphitic sheets, the method naturally reverts to the expected quadratic behavior. Also, benchmark 3-21G calculations attaining microhartree accuracy are reported for the P53 tetramerization monomer involving 698 atoms and 3836 basis functions.
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.
Large-scale structural analysis: The structural analyst, the CSM Testbed and the NAS System
NASA Technical Reports Server (NTRS)
Knight, Norman F., Jr.; Mccleary, Susan L.; Macy, Steven C.; Aminpour, Mohammad A.
1989-01-01
The Computational Structural Mechanics (CSM) activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM testbed methods development environment is presented and some numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.
An assessment of future computer system needs for large-scale computation
NASA Technical Reports Server (NTRS)
Lykos, P.; White, J.
1980-01-01
Data ranging from specific computer capability requirements to opinions about the desirability of a national computer facility are summarized. It is concluded that considerable attention should be given to improving the user-machine interface. Otherwise, increased computer power may not improve the overall effectiveness of the machine user. Significant improvement in throughput requires highly concurrent systems plus the willingness of the user community to develop problem solutions for that kind of architecture. An unanticipated result was the expression of need for an on-going cross-disciplinary users group/forum in order to share experiences and to more effectively communicate needs to the manufacturers.
SANs and Large Scale Data Migration at the NASA Center for Computational Sciences
NASA Technical Reports Server (NTRS)
Salmon, Ellen M.
2004-01-01
Evolution and migration are a way of life for provisioners of high-performance mass storage systems that serve high-end computers used by climate and Earth and space science researchers: the compute engines come and go, but the data remains. At the NASA Center for Computational Sciences (NCCS), disk and tape SANs are deployed to provide high-speed I/O for the compute engines and the hierarchical storage management systems. Along with gigabit Ethernet, they also enable the NCCS's latest significant migration: the transparent transfer of 300 Til3 of legacy HSM data into the new Sun SAM-QFS cluster.
Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes
NASA Technical Reports Server (NTRS)
Tao, Wei-Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.
2011-01-01
In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the recent developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitating systems and hurricanes/typhoons will be presented. The high-resolution spatial and temporal visualization will be utilized to show the evolution of precipitation processes. Also how to use of the multi-satellite simulator tqimproy precipitation processes will be discussed.
Coniferous canopy BRF simulation based on 3-D realistic scene.
Wang, Xin-Yun; Guo, Zhi-Feng; Qin, Wen-Han; Sun, Guo-Qing
2011-09-01
It is difficulties for the computer simulation method to study radiation regime at large-scale. Simplified coniferous model was investigated in the present study. It makes the computer simulation methods such as L-systems and radiosity-graphics combined method (RGM) more powerful in remote sensing of heterogeneous coniferous forests over a large-scale region. L-systems is applied to render 3-D coniferous forest scenarios, and RGM model was used to calculate BRF (bidirectional reflectance factor) in visible and near-infrared regions. Results in this study show that in most cases both agreed well. Meanwhile at a tree and forest level, the results are also good.
Coniferous Canopy BRF Simulation Based on 3-D Realistic Scene
NASA Technical Reports Server (NTRS)
Wang, Xin-yun; Guo, Zhi-feng; Qin, Wen-han; Sun, Guo-qing
2011-01-01
It is difficulties for the computer simulation method to study radiation regime at large-scale. Simplified coniferous model was investigate d in the present study. It makes the computer simulation methods such as L-systems and radiosity-graphics combined method (RGM) more powerf ul in remote sensing of heterogeneous coniferous forests over a large -scale region. L-systems is applied to render 3-D coniferous forest scenarios: and RGM model was used to calculate BRF (bidirectional refle ctance factor) in visible and near-infrared regions. Results in this study show that in most cases both agreed well. Meanwhiie at a tree and forest level. the results are also good.
Time of flight imaging through scattering environments (Conference Presentation)
NASA Astrophysics Data System (ADS)
Le, Toan H.; Breitbach, Eric C.; Jackson, Jonathan A.; Velten, Andreas
2017-02-01
Light scattering is a primary obstacle to imaging in many environments. On small scales in biomedical microscopy and diffuse tomography scenarios scattering is caused by tissue. On larger scales scattering from dust and fog provide challenges to vision systems for self driving cars and naval remote imaging systems. We are developing scale models for scattering environments and investigation methods for improved imaging particularly using time of flight transient information. With the emergence of Single Photon Avalanche Diode detectors and fast semiconductor lasers, illumination and capture on picosecond timescales are becoming possible in inexpensive, compact, and robust devices. This opens up opportunities for new computational imaging techniques that make use of photon time of flight. Time of flight or range information is used in remote imaging scenarios in gated viewing and in biomedical imaging in time resolved diffuse tomography. In addition spatial filtering is popular in biomedical scenarios with structured illumination and confocal microscopy. We are presenting a combination analytical, computational, and experimental models that allow us develop and test imaging methods across scattering scenarios and scales. This framework will be used for proof of concept experiments to evaluate new computational imaging methods.
High performance cellular level agent-based simulation with FLAME for the GPU.
Richmond, Paul; Walker, Dawn; Coakley, Simon; Romano, Daniela
2010-05-01
Driven by the availability of experimental data and ability to simulate a biological scale which is of immediate interest, the cellular scale is fast emerging as an ideal candidate for middle-out modelling. As with 'bottom-up' simulation approaches, cellular level simulations demand a high degree of computational power, which in large-scale simulations can only be achieved through parallel computing. The flexible large-scale agent modelling environment (FLAME) is a template driven framework for agent-based modelling (ABM) on parallel architectures ideally suited to the simulation of cellular systems. It is available for both high performance computing clusters (www.flame.ac.uk) and GPU hardware (www.flamegpu.com) and uses a formal specification technique that acts as a universal modelling format. This not only creates an abstraction from the underlying hardware architectures, but avoids the steep learning curve associated with programming them. In benchmarking tests and simulations of advanced cellular systems, FLAME GPU has reported massive improvement in performance over more traditional ABM frameworks. This allows the time spent in the development and testing stages of modelling to be drastically reduced and creates the possibility of real-time visualisation for simple visual face-validation.
Mantle convection on modern supercomputers
NASA Astrophysics Data System (ADS)
Weismüller, Jens; Gmeiner, Björn; Mohr, Marcus; Waluga, Christian; Wohlmuth, Barbara; Rüde, Ulrich; Bunge, Hans-Peter
2015-04-01
Mantle convection is the cause for plate tectonics, the formation of mountains and oceans, and the main driving mechanism behind earthquakes. The convection process is modeled by a system of partial differential equations describing the conservation of mass, momentum and energy. Characteristic to mantle flow is the vast disparity of length scales from global to microscopic, turning mantle convection simulations into a challenging application for high-performance computing. As system size and technical complexity of the simulations continue to increase, design and implementation of simulation models for next generation large-scale architectures demand an interdisciplinary co-design. Here we report about recent advances of the TERRA-NEO project, which is part of the high visibility SPPEXA program, and a joint effort of four research groups in computer sciences, mathematics and geophysical application under the leadership of FAU Erlangen. TERRA-NEO develops algorithms for future HPC infrastructures, focusing on high computational efficiency and resilience in next generation mantle convection models. We present software that can resolve the Earth's mantle with up to 1012 grid points and scales efficiently to massively parallel hardware with more than 50,000 processors. We use our simulations to explore the dynamic regime of mantle convection assessing the impact of small scale processes on global mantle flow.
Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake
Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less
Efficient and Extensible Quasi-Explicit Modular Nonlinear Multiscale Battery Model: GH-MSMD
Kim, Gi-Heon; Smith, Kandler; Lawrence-Simon, Jake; ...
2017-03-24
Complex physics and long computation time hinder the adoption of computer aided engineering models in the design of large-format battery cells and systems. A modular, efficient battery simulation model -- the multiscale multidomain (MSMD) model -- was previously introduced to aid the scale-up of Li-ion material and electrode designs to complete cell and pack designs, capturing electrochemical interplay with 3-D electronic current pathways and thermal response. Here, this paper enhances the computational efficiency of the MSMD model using a separation of time-scales principle to decompose model field variables. The decomposition provides a quasi-explicit linkage between the multiple length-scale domains andmore » thus reduces time-consuming nested iteration when solving model equations across multiple domains. In addition to particle-, electrode- and cell-length scales treated in the previous work, the present formulation extends to bus bar- and multi-cell module-length scales. We provide example simulations for several variants of GH electrode-domain models.« less
Study of an engine flow diverter system for a large scale ejector powered aircraft model
NASA Technical Reports Server (NTRS)
Springer, R. J.; Langley, B.; Plant, T.; Hunter, L.; Brock, O.
1981-01-01
Requirements were established for a conceptual design study to analyze and design an engine flow diverter system and to include accommodations for an ejector system in an existing 3/4 scale fighter model equipped with YJ-79 engines. Model constraints were identified and cost-effective limited modification was proposed to accept the ejectors, ducting and flow diverter valves. Complete system performance was calculated and a versatile computer program capable of analyzing any ejector system was developed.
Thermal Destruction Of CB Contaminants Bound On Building ...
Symposium Paper An experimental and theoretical program has been initiated by the U.S. EPA to investigate issues of chemical/biological agent destruction in incineration systems when the agent in question is bound on common porous building interior materials. This program includes 3-dimensional computational fluid dynamics modeling with matrix-bound agent destruction kinetics, bench-scale experiments to determine agent destruction kinetics while bound on various matrices, and pilot-scale experiments to scale-up the bench-scale experiments to a more practical scale. Finally, model predictions are made to predict agent destruction and combustion conditions in two full-scale incineration systems that are typical of modern combustor design.
Modeling Large Scale Circuits Using Massively Parallel Descrete-Event Simulation
2013-06-01
exascale levels of performance, the smallest elements of a single processor can greatly affect the entire computer system (e.g. its power consumption...grow to exascale levels of performance, the smallest elements of a single processor can greatly affect the entire computer system (e.g. its power...Warp Speed 10.0. 2.0 INTRODUCTION As supercomputer systems approach exascale , the core count will exceed 1024 and number of transistors used in
Memristive Mixed-Signal Neuromorphic Systems: Energy-Efficient Learning at the Circuit-Level
Chakma, Gangotree; Adnan, Md Musabbir; Wyer, Austin R.; ...
2017-11-23
Neuromorphic computing is non-von Neumann computer architecture for the post Moore’s law era of computing. Since a main focus of the post Moore’s law era is energy-efficient computing with fewer resources and less area, neuromorphic computing contributes effectively in this research. Here in this paper, we present a memristive neuromorphic system for improved power and area efficiency. Our particular mixed-signal approach implements neural networks with spiking events in a synchronous way. Moreover, the use of nano-scale memristive devices saves both area and power in the system. We also provide device-level considerations that make the system more energy-efficient. The proposed systemmore » additionally includes synchronous digital long term plasticity, an online learning methodology that helps the system train the neural networks during the operation phase and improves the efficiency in learning considering the power consumption and area overhead.« less
Experimental comparison of two quantum computing architectures.
Linke, Norbert M; Maslov, Dmitri; Roetteler, Martin; Debnath, Shantanu; Figgatt, Caroline; Landsman, Kevin A; Wright, Kenneth; Monroe, Christopher
2017-03-28
We run a selection of algorithms on two state-of-the-art 5-qubit quantum computers that are based on different technology platforms. One is a publicly accessible superconducting transmon device (www. ibm.com/ibm-q) with limited connectivity, and the other is a fully connected trapped-ion system. Even though the two systems have different native quantum interactions, both can be programed in a way that is blind to the underlying hardware, thus allowing a comparison of identical quantum algorithms between different physical systems. We show that quantum algorithms and circuits that use more connectivity clearly benefit from a better-connected system of qubits. Although the quantum systems here are not yet large enough to eclipse classical computers, this experiment exposes critical factors of scaling quantum computers, such as qubit connectivity and gate expressivity. In addition, the results suggest that codesigning particular quantum applications with the hardware itself will be paramount in successfully using quantum computers in the future.
Memristive Mixed-Signal Neuromorphic Systems: Energy-Efficient Learning at the Circuit-Level
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chakma, Gangotree; Adnan, Md Musabbir; Wyer, Austin R.
Neuromorphic computing is non-von Neumann computer architecture for the post Moore’s law era of computing. Since a main focus of the post Moore’s law era is energy-efficient computing with fewer resources and less area, neuromorphic computing contributes effectively in this research. Here in this paper, we present a memristive neuromorphic system for improved power and area efficiency. Our particular mixed-signal approach implements neural networks with spiking events in a synchronous way. Moreover, the use of nano-scale memristive devices saves both area and power in the system. We also provide device-level considerations that make the system more energy-efficient. The proposed systemmore » additionally includes synchronous digital long term plasticity, an online learning methodology that helps the system train the neural networks during the operation phase and improves the efficiency in learning considering the power consumption and area overhead.« less
NASA Astrophysics Data System (ADS)
Harfst, S.; Portegies Zwart, S.; McMillan, S.
2008-12-01
We present MUSE, a software framework for combining existing computational tools from different astrophysical domains into a single multi-physics, multi-scale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly-coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a ``Noah's Ark'' milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multi-scale and multi-physics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe two examples calculated using MUSE: the merger of two galaxies and an N-body simulation with live stellar evolution. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.
Scalable domain decomposition solvers for stochastic PDEs in high performance computing
Desai, Ajit; Khalil, Mohammad; Pettit, Chris; ...
2017-09-21
Stochastic spectral finite element models of practical engineering systems may involve solutions of linear systems or linearized systems for non-linear problems with billions of unknowns. For stochastic modeling, it is therefore essential to design robust, parallel and scalable algorithms that can efficiently utilize high-performance computing to tackle such large-scale systems. Domain decomposition based iterative solvers can handle such systems. And though these algorithms exhibit excellent scalabilities, significant algorithmic and implementational challenges exist to extend them to solve extreme-scale stochastic systems using emerging computing platforms. Intrusive polynomial chaos expansion based domain decomposition algorithms are extended here to concurrently handle high resolutionmore » in both spatial and stochastic domains using an in-house implementation. Sparse iterative solvers with efficient preconditioners are employed to solve the resulting global and subdomain level local systems through multi-level iterative solvers. We also use parallel sparse matrix–vector operations to reduce the floating-point operations and memory requirements. Numerical and parallel scalabilities of these algorithms are presented for the diffusion equation having spatially varying diffusion coefficient modeled by a non-Gaussian stochastic process. Scalability of the solvers with respect to the number of random variables is also investigated.« less
Scalable domain decomposition solvers for stochastic PDEs in high performance computing
DOE Office of Scientific and Technical Information (OSTI.GOV)
Desai, Ajit; Khalil, Mohammad; Pettit, Chris
Stochastic spectral finite element models of practical engineering systems may involve solutions of linear systems or linearized systems for non-linear problems with billions of unknowns. For stochastic modeling, it is therefore essential to design robust, parallel and scalable algorithms that can efficiently utilize high-performance computing to tackle such large-scale systems. Domain decomposition based iterative solvers can handle such systems. And though these algorithms exhibit excellent scalabilities, significant algorithmic and implementational challenges exist to extend them to solve extreme-scale stochastic systems using emerging computing platforms. Intrusive polynomial chaos expansion based domain decomposition algorithms are extended here to concurrently handle high resolutionmore » in both spatial and stochastic domains using an in-house implementation. Sparse iterative solvers with efficient preconditioners are employed to solve the resulting global and subdomain level local systems through multi-level iterative solvers. We also use parallel sparse matrix–vector operations to reduce the floating-point operations and memory requirements. Numerical and parallel scalabilities of these algorithms are presented for the diffusion equation having spatially varying diffusion coefficient modeled by a non-Gaussian stochastic process. Scalability of the solvers with respect to the number of random variables is also investigated.« less
Crutchfield, James P; Ditto, William L; Sinha, Sudeshna
2010-09-01
How dynamical systems store and process information is a fundamental question that touches a remarkably wide set of contemporary issues: from the breakdown of Moore's scaling laws--that predicted the inexorable improvement in digital circuitry--to basic philosophical problems of pattern in the natural world. It is a question that also returns one to the earliest days of the foundations of dynamical systems theory, probability theory, mathematical logic, communication theory, and theoretical computer science. We introduce the broad and rather eclectic set of articles in this Focus Issue that highlights a range of current challenges in computing and dynamical systems.
Computer-aided design of large-scale integrated circuits - A concept
NASA Technical Reports Server (NTRS)
Schansman, T. T.
1971-01-01
Circuit design and mask development sequence are improved by using general purpose computer with interactive graphics capability establishing efficient two way communications link between design engineer and system. Interactive graphics capability places design engineer in direct control of circuit development.
NASA Astrophysics Data System (ADS)
Hobson, T.; Clarkson, V.
2012-09-01
As a result of continual space activity since the 1950s, there are now a large number of man-made Resident Space Objects (RSOs) orbiting the Earth. Because of the large number of items and their relative speeds, the possibility of destructive collisions involving important space assets is now of significant concern to users and operators of space-borne technologies. As a result, a growing number of international agencies are researching methods for improving techniques to maintain Space Situational Awareness (SSA). Computer simulation is a method commonly used by many countries to validate competing methodologies prior to full scale adoption. The use of supercomputing and/or reduced scale testing is often necessary to effectively simulate such a complex problem on todays computers. Recently the authors presented a simulation aimed at reducing the computational burden by selecting the minimum level of fidelity necessary for contrasting methodologies and by utilising multi-core CPU parallelism for increased computational efficiency. The resulting simulation runs on a single PC while maintaining the ability to effectively evaluate competing methodologies. Nonetheless, the ability to control the scale and expand upon the computational demands of the sensor management system is limited. In this paper, we examine the advantages of increasing the parallelism of the simulation by means of General Purpose computing on Graphics Processing Units (GPGPU). As many sub-processes pertaining to SSA management are independent, we demonstrate how parallelisation via GPGPU has the potential to significantly enhance not only research into techniques for maintaining SSA, but also to enhance the level of sophistication of existing space surveillance sensors and sensor management systems. Nonetheless, the use of GPGPU imposes certain limitations and adds to the implementation complexity, both of which require consideration to achieve an effective system. We discuss these challenges and how they can be overcome. We further describe an application of the parallelised system where visibility prediction is used to enhance sensor management. This facilitates significant improvement in maximum catalogue error when RSOs become temporarily unobservable. The objective is to demonstrate the enhanced scalability and increased computational capability of the system.
Oak Ridge Leadership Computing Facility Position Paper
DOE Office of Scientific and Technical Information (OSTI.GOV)
Oral, H Sarp; Hill, Jason J; Thach, Kevin G
This paper discusses the business, administration, reliability, and usability aspects of storage systems at the Oak Ridge Leadership Computing Facility (OLCF). The OLCF has developed key competencies in architecting and administration of large-scale Lustre deployments as well as HPSS archival systems. Additionally as these systems are architected, deployed, and expanded over time reliability and availability factors are a primary driver. This paper focuses on the implementation of the Spider parallel Lustre file system as well as the implementation of the HPSS archive at the OLCF.
Simulating chemistry using quantum computers.
Kassal, Ivan; Whitfield, James D; Perdomo-Ortiz, Alejandro; Yung, Man-Hong; Aspuru-Guzik, Alán
2011-01-01
The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.
A distributed computing approach to mission operations support. [for spacecraft
NASA Technical Reports Server (NTRS)
Larsen, R. L.
1975-01-01
Computing mission operation support includes orbit determination, attitude processing, maneuver computation, resource scheduling, etc. The large-scale third-generation distributed computer network discussed is capable of fulfilling these dynamic requirements. It is shown that distribution of resources and control leads to increased reliability, and exhibits potential for incremental growth. Through functional specialization, a distributed system may be tuned to very specific operational requirements. Fundamental to the approach is the notion of process-to-process communication, which is effected through a high-bandwidth communications network. Both resource-sharing and load-sharing may be realized in the system.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lehtola, Susi; Parkhill, John; Head-Gordon, Martin
Novel implementations based on dense tensor storage are presented here for the singlet-reference perfect quadruples (PQ) [J. A. Parkhill et al., J. Chem. Phys. 130, 084101 (2009)] and perfect hextuples (PH) [J. A. Parkhill and M. Head-Gordon, J. Chem. Phys. 133, 024103 (2010)] models. The methods are obtained as block decompositions of conventional coupled-cluster theory that are exact for four electrons in four orbitals (PQ) and six electrons in six orbitals (PH), but that can also be applied to much larger systems. PQ and PH have storage requirements that scale as the square, and as the cube of the numbermore » of active electrons, respectively, and exhibit quartic scaling of the computational effort for large systems. Applications of the new implementations are presented for full-valence calculations on linear polyenes (C nH n+2), which highlight the excellent computational scaling of the present implementations that can routinely handle active spaces of hundreds of electrons. The accuracy of the models is studied in the π space of the polyenes, in hydrogen chains (H 50), and in the π space of polyacene molecules. In all cases, the results compare favorably to density matrix renormalization group values. With the novel implementation of PQ, active spaces of 140 electrons in 140 orbitals can be solved in a matter of minutes on a single core workstation, and the relatively low polynomial scaling means that very large systems are also accessible using parallel computing.« less
An interactive display system for large-scale 3D models
NASA Astrophysics Data System (ADS)
Liu, Zijian; Sun, Kun; Tao, Wenbing; Liu, Liman
2018-04-01
With the improvement of 3D reconstruction theory and the rapid development of computer hardware technology, the reconstructed 3D models are enlarging in scale and increasing in complexity. Models with tens of thousands of 3D points or triangular meshes are common in practical applications. Due to storage and computing power limitation, it is difficult to achieve real-time display and interaction with large scale 3D models for some common 3D display software, such as MeshLab. In this paper, we propose a display system for large-scale 3D scene models. We construct the LOD (Levels of Detail) model of the reconstructed 3D scene in advance, and then use an out-of-core view-dependent multi-resolution rendering scheme to realize the real-time display of the large-scale 3D model. With the proposed method, our display system is able to render in real time while roaming in the reconstructed scene and 3D camera poses can also be displayed. Furthermore, the memory consumption can be significantly decreased via internal and external memory exchange mechanism, so that it is possible to display a large scale reconstructed scene with over millions of 3D points or triangular meshes in a regular PC with only 4GB RAM.
Delvigne, Frank; Takors, Ralf; Mudde, Rob; van Gulik, Walter; Noorman, Henk
2017-09-01
Efficient optimization of microbial processes is a critical issue for achieving a number of sustainable development goals, considering the impact of microbial biotechnology in agrofood, environment, biopharmaceutical and chemical industries. Many of these applications require scale-up after proof of concept. However, the behaviour of microbial systems remains unpredictable (at least partially) when shifting from laboratory-scale to industrial conditions. The need for robust microbial systems is thus highly needed in this context, as well as a better understanding of the interactions between fluid mechanics and cell physiology. For that purpose, a full scale-up/down computational framework is already available. This framework links computational fluid dynamics (CFD), metabolic flux analysis and agent-based modelling (ABM) for a better understanding of the cell lifelines in a heterogeneous environment. Ultimately, this framework can be used for the design of scale-down simulators and/or metabolically engineered cells able to cope with environmental fluctuations typically found in large-scale bioreactors. However, this framework still needs some refinements, such as a better integration of gas-liquid flows in CFD, and taking into account intrinsic biological noise in ABM. © 2017 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.
Finding a roadmap to achieve large neuromorphic hardware systems
Hasler, Jennifer; Marr, Bo
2013-01-01
Neuromorphic systems are gaining increasing importance in an era where CMOS digital computing techniques are reaching physical limits. These silicon systems mimic extremely energy efficient neural computing structures, potentially both for solving engineering applications as well as understanding neural computation. Toward this end, the authors provide a glimpse at what the technology evolution roadmap looks like for these systems so that Neuromorphic engineers may gain the same benefit of anticipation and foresight that IC designers gained from Moore's law many years ago. Scaling of energy efficiency, performance, and size will be discussed as well as how the implementation and application space of Neuromorphic systems are expected to evolve over time. PMID:24058330
Efficient coarse simulation of a growing avascular tumor
Kavousanakis, Michail E.; Liu, Ping; Boudouvis, Andreas G.; Lowengrub, John; Kevrekidis, Ioannis G.
2013-01-01
The subject of this work is the development and implementation of algorithms which accelerate the simulation of early stage tumor growth models. Among the different computational approaches used for the simulation of tumor progression, discrete stochastic models (e.g., cellular automata) have been widely used to describe processes occurring at the cell and subcell scales (e.g., cell-cell interactions and signaling processes). To describe macroscopic characteristics (e.g., morphology) of growing tumors, large numbers of interacting cells must be simulated. However, the high computational demands of stochastic models make the simulation of large-scale systems impractical. Alternatively, continuum models, which can describe behavior at the tumor scale, often rely on phenomenological assumptions in place of rigorous upscaling of microscopic models. This limits their predictive power. In this work, we circumvent the derivation of closed macroscopic equations for the growing cancer cell populations; instead, we construct, based on the so-called “equation-free” framework, a computational superstructure, which wraps around the individual-based cell-level simulator and accelerates the computations required for the study of the long-time behavior of systems involving many interacting cells. The microscopic model, e.g., a cellular automaton, which simulates the evolution of cancer cell populations, is executed for relatively short time intervals, at the end of which coarse-scale information is obtained. These coarse variables evolve on slower time scales than each individual cell in the population, enabling the application of forward projection schemes, which extrapolate their values at later times. This technique is referred to as coarse projective integration. Increasing the ratio of projection times to microscopic simulator execution times enhances the computational savings. Crucial accuracy issues arising for growing tumors with radial symmetry are addressed by applying the coarse projective integration scheme in a cotraveling (cogrowing) frame. As a proof of principle, we demonstrate that the application of this scheme yields highly accurate solutions, while preserving the computational savings of coarse projective integration. PMID:22587128
Parallel Simulation of Unsteady Turbulent Flames
NASA Technical Reports Server (NTRS)
Menon, Suresh
1996-01-01
Time-accurate simulation of turbulent flames in high Reynolds number flows is a challenging task since both fluid dynamics and combustion must be modeled accurately. To numerically simulate this phenomenon, very large computer resources (both time and memory) are required. Although current vector supercomputers are capable of providing adequate resources for simulations of this nature, the high cost and their limited availability, makes practical use of such machines less than satisfactory. At the same time, the explicit time integration algorithms used in unsteady flow simulations often possess a very high degree of parallelism, making them very amenable to efficient implementation on large-scale parallel computers. Under these circumstances, distributed memory parallel computers offer an excellent near-term solution for greatly increased computational speed and memory, at a cost that may render the unsteady simulations of the type discussed above more feasible and affordable.This paper discusses the study of unsteady turbulent flames using a simulation algorithm that is capable of retaining high parallel efficiency on distributed memory parallel architectures. Numerical studies are carried out using large-eddy simulation (LES). In LES, the scales larger than the grid are computed using a time- and space-accurate scheme, while the unresolved small scales are modeled using eddy viscosity based subgrid models. This is acceptable for the moment/energy closure since the small scales primarily provide a dissipative mechanism for the energy transferred from the large scales. However, for combustion to occur, the species must first undergo mixing at the small scales and then come into molecular contact. Therefore, global models cannot be used. Recently, a new model for turbulent combustion was developed, in which the combustion is modeled, within the subgrid (small-scales) using a methodology that simulates the mixing and the molecular transport and the chemical kinetics within each LES grid cell. Finite-rate kinetics can be included without any closure and this approach actually provides a means to predict the turbulent rates and the turbulent flame speed. The subgrid combustion model requires resolution of the local time scales associated with small-scale mixing, molecular diffusion and chemical kinetics and, therefore, within each grid cell, a significant amount of computations must be carried out before the large-scale (LES resolved) effects are incorporated. Therefore, this approach is uniquely suited for parallel processing and has been implemented on various systems such as: Intel Paragon, IBM SP-2, Cray T3D and SGI Power Challenge (PC) using the system independent Message Passing Interface (MPI) compiler. In this paper, timing data on these machines is reported along with some characteristic results.
Scaling an urban emergency evacuation framework : challenges and practices.
DOT National Transportation Integrated Search
2014-01-01
Critical infrastructure disruption, caused by severe weather events, natural disasters, terrorist : attacks, etc., has significant impacts on urban transportation systems. We built a computational : framework to simulate urban transportation systems ...
Compact Multimedia Systems in Multi-chip Module Technology
NASA Technical Reports Server (NTRS)
Fang, Wai-Chi; Alkalaj, Leon
1995-01-01
This tutorial paper shows advanced multimedia system designs based on multi-chip module (MCM) technologies that provide essential computing, compression, communication, and storage capabilities for various large scale information highway applications.!.
Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes
NASA Technical Reports Server (NTRS)
Tao, Wei--Kuo; Chern, J.; Lamg, S.; Matsui, T.; Shen, B.; Zeng, X.; Shi, R.
2010-01-01
In recent years, exponentially increasing computer power extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 sq km in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale models can be run in grid size similar to cloud resolving models through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model). (2) a regional scale model (a NASA unified weather research and forecast, W8F). (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling systems to study the interactions between clouds, precipitation, and aerosols will be presented. Also how to use the multi-satellite simulator to improve precipitation processes will be discussed.
Using Multi-Scale Modeling Systems to Study the Precipitation Processes
NASA Technical Reports Server (NTRS)
Tao, Wei-Kuo
2010-01-01
In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the interactions between clouds, precipitation, and aerosols will be presented. Also how to use of the multi-satellite simulator to improve precipitation processes will be discussed.
Artificial intelligence issues related to automated computing operations
NASA Technical Reports Server (NTRS)
Hornfeck, William A.
1989-01-01
Large data processing installations represent target systems for effective applications of artificial intelligence (AI) constructs. The system organization of a large data processing facility at the NASA Marshall Space Flight Center is presented. The methodology and the issues which are related to AI application to automated operations within a large-scale computing facility are described. Problems to be addressed and initial goals are outlined.
Steiner, Naomi J; Sheldrick, Radley Christopher; Gotthelf, David; Perrin, Ellen C
2011-07-01
Objective. This study examined the efficacy of 2 computer-based training systems to teach children with attention deficit/hyperactivity disorder (ADHD) to attend more effectively. Design/methods. A total of 41 children with ADHD from 2 middle schools were randomly assigned to receive 2 sessions a week at school of either neurofeedback (NF) or attention training through a standard computer format (SCF), either immediately or after a 6-month wait (waitlist control group). Parents, children, and teachers completed questionnaires pre- and postintervention. Results. Primary parents in the NF condition reported significant (P < .05) change on Conners's Rating Scales-Revised (CRS-R) and Behavior Assessment Scales for Children (BASC) subscales; and in the SCF condition, they reported significant (P < .05) change on the CRS-R Inattention scale and ADHD index, the BASC Attention Problems Scale, and on the Behavioral Rating Inventory of Executive Functioning (BRIEF). Conclusion. This randomized control trial provides preliminary evidence of the effectiveness of computer-based interventions for ADHD and supports the feasibility of offering them in a school setting.
Recent Enhancements to the Community Multiscale Air Quality Modeling System (CMAQ)
EPA’s Office of Research and Development, Computational Exposure Division held a webinar on January 31, 2017 to present the recent scientific and computational updates made by EPA to the Community Multi-Scale Air Quality Model (CMAQ). Topics covered included: (1) Improveme...
Environmental models are products of the computer architecture and software tools available at the time of development. Scientifically sound algorithms may persist in their original state even as system architectures and software development approaches evolve and progress. Dating...
2004-10-01
MONITORING AGENCY NAME(S) AND ADDRESS(ES) Defense Advanced Research Projects Agency AFRL/IFTC 3701 North Fairfax Drive...Scalable Parallel Libraries for Large-Scale Concurrent Applications," Technical Report UCRL -JC-109251, Lawrence Livermore National Laboratory
Object-oriented analysis and design: a methodology for modeling the computer-based patient record.
Egyhazy, C J; Eyestone, S M; Martino, J; Hodgson, C L
1998-08-01
The article highlights the importance of an object-oriented analysis and design (OOAD) methodology for the computer-based patient record (CPR) in the military environment. Many OOAD methodologies do not adequately scale up, allow for efficient reuse of their products, or accommodate legacy systems. A methodology that addresses these issues is formulated and used to demonstrate its applicability in a large-scale health care service system. During a period of 6 months, a team of object modelers and domain experts formulated an OOAD methodology tailored to the Department of Defense Military Health System and used it to produce components of an object model for simple order processing. This methodology and the lessons learned during its implementation are described. This approach is necessary to achieve broad interoperability among heterogeneous automated information systems.
NASA Astrophysics Data System (ADS)
Slaughter, A. E.; Permann, C.; Peterson, J. W.; Gaston, D.; Andrs, D.; Miller, J.
2014-12-01
The Idaho National Laboratory (INL)-developed Multiphysics Object Oriented Simulation Environment (MOOSE; www.mooseframework.org), is an open-source, parallel computational framework for enabling the solution of complex, fully implicit multiphysics systems. MOOSE provides a set of computational tools that scientists and engineers can use to create sophisticated multiphysics simulations. Applications built using MOOSE have computed solutions for chemical reaction and transport equations, computational fluid dynamics, solid mechanics, heat conduction, mesoscale materials modeling, geomechanics, and others. To facilitate the coupling of diverse and highly-coupled physical systems, MOOSE employs the Jacobian-free Newton-Krylov (JFNK) method when solving the coupled nonlinear systems of equations arising in multiphysics applications. The MOOSE framework is written in C++, and leverages other high-quality, open-source scientific software packages such as LibMesh, Hypre, and PETSc. MOOSE uses a "hybrid parallel" model which combines both shared memory (thread-based) and distributed memory (MPI-based) parallelism to ensure efficient resource utilization on a wide range of computational hardware. MOOSE-based applications are inherently modular, which allows for simulation expansion (via coupling of additional physics modules) and the creation of multi-scale simulations. Any application developed with MOOSE supports running (in parallel) any other MOOSE-based application. Each application can be developed independently, yet easily communicate with other applications (e.g., conductivity in a slope-scale model could be a constant input, or a complete phase-field micro-structure simulation) without additional code being written. This method of development has proven effective at INL and expedites the development of sophisticated, sustainable, and collaborative simulation tools.
An interactive web-based system using cloud for large-scale visual analytics
NASA Astrophysics Data System (ADS)
Kaseb, Ahmed S.; Berry, Everett; Rozolis, Erik; McNulty, Kyle; Bontrager, Seth; Koh, Youngsol; Lu, Yung-Hsiang; Delp, Edward J.
2015-03-01
Network cameras have been growing rapidly in recent years. Thousands of public network cameras provide tremendous amount of visual information about the environment. There is a need to analyze this valuable information for a better understanding of the world around us. This paper presents an interactive web-based system that enables users to execute image analysis and computer vision techniques on a large scale to analyze the data from more than 65,000 worldwide cameras. This paper focuses on how to use both the system's website and Application Programming Interface (API). Given a computer program that analyzes a single frame, the user needs to make only slight changes to the existing program and choose the cameras to analyze. The system handles the heterogeneity of the geographically distributed cameras, e.g. different brands, resolutions. The system allocates and manages Amazon EC2 and Windows Azure cloud resources to meet the analysis requirements.
(U) Status of Trinity and Crossroads Systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Archer, Billy Joe; Lujan, James Westley; Hemmert, K. S.
2017-01-10
(U) This paper provides a general overview of current and future plans for the Advanced Simulation and Computing (ASC) Advanced Technology (AT) systems fielded by the New Mexico Alliance for Computing at Extreme Scale (ACES), a collaboration between Los Alamos Laboratory and Sandia National Laboratories. Additionally, this paper touches on research of technology beyond traditional CMOS. The status of Trinity, ASCs first AT system, and Crossroads, anticipated to succeed Trinity as the third AT system in 2020 will be presented, along with initial performance studies of the Intel Knights Landing Xeon Phi processors, introduced on Trinity. The challenges and opportunitiesmore » for our production simulation codes on AT systems will also be discussed. Trinity and Crossroads are a joint procurement by ACES and Lawrence Berkeley Laboratory as part of the Alliance for application Performance at EXtreme scale (APEX) http://apex.lanl.gov.« less
NASA Astrophysics Data System (ADS)
Senthilkumar, K.; Ruchika Mehra Vijayan, E.
2017-11-01
This paper aims to illustrate real time analysis of large scale data. For practical implementation we are performing sentiment analysis on live Twitter feeds for each individual tweet. To analyze sentiments we will train our data model on sentiWordNet, a polarity assigned wordNet sample by Princeton University. Our main objective will be to efficiency analyze large scale data on the fly using distributed computation. Apache Spark and Apache Hadoop eco system is used as distributed computation platform with Java as development language
Computer Anxiety: How to Measure It?
ERIC Educational Resources Information Center
McPherson, Bill
1997-01-01
Provides an overview of five scales that are used to measure computer anxiety: Computer Anxiety Index, Computer Anxiety Scale, Computer Attitude Scale, Attitudes toward Computers, and Blombert-Erickson-Lowrey Computer Attitude Task. Includes background information and scale specifics. (JOW)
Karavitis, G.A.
1984-01-01
The SIMSYS2D two-dimensional water-quality simulation system is a large-scale digital modeling software system used to simulate flow and transport of solutes in freshwater and estuarine environments. Due to the size, processing requirements, and complexity of the system, there is a need to easily move the system and its associated files between computer sites when required. A series of job control language (JCL) procedures was written to allow transferability between IBM and IBM-compatible computers. (USGS)
Parallel Visualization Co-Processing of Overnight CFD Propulsion Applications
NASA Technical Reports Server (NTRS)
Edwards, David E.; Haimes, Robert
1999-01-01
An interactive visualization system pV3 is being developed for the investigation of advanced computational methodologies employing visualization and parallel processing for the extraction of information contained in large-scale transient engineering simulations. Visual techniques for extracting information from the data in terms of cutting planes, iso-surfaces, particle tracing and vector fields are included in this system. This paper discusses improvements to the pV3 system developed under NASA's Affordable High Performance Computing project.
A uniform approach for programming distributed heterogeneous computing systems
Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas
2014-01-01
Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater’s performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations. PMID:25844015
A uniform approach for programming distributed heterogeneous computing systems.
Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas
2014-12-01
Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater's performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations.
Modeling of Revitalization of Atmospheric Water
NASA Technical Reports Server (NTRS)
Coker, Robert; Knox, Jim
2014-01-01
The Atmosphere Revitalization Recovery and Environmental Monitoring (ARREM) project was initiated in September of 2011 as part of the Advanced Exploration Systems (AES) program. Under the ARREM project, testing of sub-scale and full-scale systems has been combined with multiphysics computer simulations for evaluation and optimization of subsystem approaches. In particular, this paper describes the testing and modeling of the water desiccant subsystem of the carbon dioxide removal assembly (CDRA). The goal is a full system predictive model of CDRA to guide system optimization and development.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Venkata, Manjunath Gorentla; Aderholdt, William F
The pre-exascale systems are expected to have a significant amount of hierarchical and heterogeneous on-node memory, and this trend of system architecture in extreme-scale systems is expected to continue into the exascale era. along with hierarchical-heterogeneous memory, the system typically has a high-performing network ad a compute accelerator. This system architecture is not only effective for running traditional High Performance Computing (HPC) applications (Big-Compute), but also for running data-intensive HPC applications and Big-Data applications. As a consequence, there is a growing desire to have a single system serve the needs of both Big-Compute and Big-Data applications. Though the system architecturemore » supports the convergence of the Big-Compute and Big-Data, the programming models and software layer have yet to evolve to support either hierarchical-heterogeneous memory systems or the convergence. A programming abstraction to address this problem. The programming abstraction is implemented as a software library and runs on pre-exascale and exascale systems supporting current and emerging system architecture. Using distributed data-structures as a central concept, it provides (1) a simple, usable, and portable abstraction for hierarchical-heterogeneous memory and (2) a unified programming abstraction for Big-Compute and Big-Data applications.« less
A Computational Workflow for the Automated Generation of Models of Genetic Designs.
Misirli, Göksel; Nguyen, Tramy; McLaughlin, James Alastair; Vaidyanathan, Prashant; Jones, Timothy S; Densmore, Douglas; Myers, Chris; Wipat, Anil
2018-06-05
Computational models are essential to engineer predictable biological systems and to scale up this process for complex systems. Computational modeling often requires expert knowledge and data to build models. Clearly, manual creation of models is not scalable for large designs. Despite several automated model construction approaches, computational methodologies to bridge knowledge in design repositories and the process of creating computational models have still not been established. This paper describes a workflow for automatic generation of computational models of genetic circuits from data stored in design repositories using existing standards. This workflow leverages the software tool SBOLDesigner to build structural models that are then enriched by the Virtual Parts Repository API using Systems Biology Open Language (SBOL) data fetched from the SynBioHub design repository. The iBioSim software tool is then utilized to convert this SBOL description into a computational model encoded using the Systems Biology Markup Language (SBML). Finally, this SBML model can be simulated using a variety of methods. This workflow provides synthetic biologists with easy to use tools to create predictable biological systems, hiding away the complexity of building computational models. This approach can further be incorporated into other computational workflows for design automation.
Relativistic Few-Body Hadronic Physics Calculations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Polyzou, Wayne
2016-06-20
The goal of this research proposal was to use ``few-body'' methods to understand the structure and reactions of systems of interacting hadrons (neutrons, protons, mesons, quarks) over a broad range of energy scales. Realistic mathematical models of few-hadron systems have the advantage that they are sufficiently simple that they can be solved with mathematically controlled errors. These systems are also simple enough that it is possible to perform complete accurate experimental measurements on these systems. Comparison between theory and experiment puts strong constraints on the structure of the models. Even though these systems are ``simple'', both the experiments and computationsmore » push the limits of technology. The important property of ``few-body'' systems is that the ``cluster property'' implies that the interactions that appear in few-body systems are identical to the interactions that appear in complicated many-body systems. Of particular interest are models that correctly describe physics at distance scales that are sensitive to the internal structure of the individual nucleons. The Heisenberg uncertainty principle implies that in order to be sensitive to physics on distance scales that are a fraction of the proton or neutron radius, a relativistic treatment of quantum mechanics is necessary. The research supported by this grant involved 30 years of effort devoted to studying all aspects of interacting two and three-body systems. Realistic interactions were used to compute bound states of two- and three-nucleon, and two- and three-quark systems. Scattering observables for these systems were computed for a broad range of energies - from zero energy scattering to few GeV scattering, where experimental evidence of sub-nucleon degrees of freedom is beginning to appear. Benchmark calculations were produced, which when compared with calculations of other groups provided an essential check on these complicated calculations. In addition to computing bound state properties and scattering cross section, we also computed electron scattering cross sections in few-nucleon and few-quark systems, which are sensitive to the electric currents in these systems. We produced the definitive review on article on relativistic quantum mechanics, which and been used by many groups. In addition we developed and tested many computational techniques are used by other groups. Many of these techniques have applications in other areas of physics. The research benefited by collaborations with physicists from many different institutions and countries. It also involved working with seventeen undergraduate and graduate students.« less
Cockrell, Robert Chase; Christley, Scott; Chang, Eugene; An, Gary
2015-01-01
Perhaps the greatest challenge currently facing the biomedical research community is the ability to integrate highly detailed cellular and molecular mechanisms to represent clinical disease states as a pathway to engineer effective therapeutics. This is particularly evident in the representation of organ-level pathophysiology in terms of abnormal tissue structure, which, through histology, remains a mainstay in disease diagnosis and staging. As such, being able to generate anatomic scale simulations is a highly desirable goal. While computational limitations have previously constrained the size and scope of multi-scale computational models, advances in the capacity and availability of high-performance computing (HPC) resources have greatly expanded the ability of computational models of biological systems to achieve anatomic, clinically relevant scale. Diseases of the intestinal tract are exemplary examples of pathophysiological processes that manifest at multiple scales of spatial resolution, with structural abnormalities present at the microscopic, macroscopic and organ-levels. In this paper, we describe a novel, massively parallel computational model of the gut, the Spatially Explicitly General-purpose Model of Enteric Tissue_HPC (SEGMEnT_HPC), which extends an existing model of the gut epithelium, SEGMEnT, in order to create cell-for-cell anatomic scale simulations. We present an example implementation of SEGMEnT_HPC that simulates the pathogenesis of ileal pouchitis, and important clinical entity that affects patients following remedial surgery for ulcerative colitis. PMID:25806784
Supercomputers ready for use as discovery machines for neuroscience.
Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus
2012-01-01
NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 10(8) neurons and 10(12) synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience.
Supercomputers Ready for Use as Discovery Machines for Neuroscience
Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus
2012-01-01
NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 108 neurons and 1012 synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience. PMID:23129998
Optical Interconnections for VLSI Computational Systems Using Computer-Generated Holography.
NASA Astrophysics Data System (ADS)
Feldman, Michael Robert
Optical interconnects for VLSI computational systems using computer generated holograms are evaluated in theory and experiment. It is shown that by replacing particular electronic connections with free-space optical communication paths, connection of devices on a single chip or wafer and between chips or modules can be improved. Optical and electrical interconnects are compared in terms of power dissipation, communication bandwidth, and connection density. Conditions are determined for which optical interconnects are advantageous. Based on this analysis, it is shown that by applying computer generated holographic optical interconnects to wafer scale fine grain parallel processing systems, dramatic increases in system performance can be expected. Some new interconnection networks, designed to take full advantage of optical interconnect technology, have been developed. Experimental Computer Generated Holograms (CGH's) have been designed, fabricated and subsequently tested in prototype optical interconnected computational systems. Several new CGH encoding methods have been developed to provide efficient high performance CGH's. One CGH was used to decrease the access time of a 1 kilobit CMOS RAM chip. Another was produced to implement the inter-processor communication paths in a shared memory SIMD parallel processor array.
NASA Technical Reports Server (NTRS)
Montag, Bruce C.; Bishop, Alfred M.; Redfield, Joe B.
1989-01-01
The findings of a preliminary investigation by Southwest Research Institute (SwRI) in simulation host computer concepts is presented. It is designed to aid NASA in evaluating simulation technologies for use in spaceflight training. The focus of the investigation is on the next generation of space simulation systems that will be utilized in training personnel for Space Station Freedom operations. SwRI concludes that NASA should pursue a distributed simulation host computer system architecture for the Space Station Training Facility (SSTF) rather than a centralized mainframe based arrangement. A distributed system offers many advantages and is seen by SwRI as the only architecture that will allow NASA to achieve established functional goals and operational objectives over the life of the Space Station Freedom program. Several distributed, parallel computing systems are available today that offer real-time capabilities for time critical, man-in-the-loop simulation. These systems are flexible in terms of connectivity and configurability, and are easily scaled to meet increasing demands for more computing power.
NASA Astrophysics Data System (ADS)
Carvalho, D.; Gavillet, Ph.; Delgado, V.; Albert, J. N.; Bellas, N.; Javello, J.; Miere, Y.; Ruffinoni, D.; Smith, G.
Large Scientific Equipments are controlled by Computer Systems whose complexity is growing driven, on the one hand by the volume and variety of the information, its distributed nature, the sophistication of its treatment and, on the other hand by the fast evolution of the computer and network market. Some people call them genetically Large-Scale Distributed Data Intensive Information Systems or Distributed Computer Control Systems (DCCS) for those systems dealing more with real time control. Taking advantage of (or forced by) the distributed architecture, the tasks are more and more often implemented as Client-Server applications. In this framework the monitoring of the computer nodes, the communications network and the applications becomes of primary importance for ensuring the safe running and guaranteed performance of the system. With the future generation of HEP experiments, such as those at the LHC in view, it is proposed to integrate the various functions of DCCS monitoring into one general purpose Multi-layer System.
Scheduling based on a dynamic resource connection
NASA Astrophysics Data System (ADS)
Nagiyev, A. E.; Botygin, I. A.; Shersntneva, A. I.; Konyaev, P. A.
2017-02-01
The practical using of distributed computing systems associated with many problems, including troubles with the organization of an effective interaction between the agents located at the nodes of the system, with the specific configuration of each node of the system to perform a certain task, with the effective distribution of the available information and computational resources of the system, with the control of multithreading which implements the logic of solving research problems and so on. The article describes the method of computing load balancing in distributed automatic systems, focused on the multi-agency and multi-threaded data processing. The scheme of the control of processing requests from the terminal devices, providing the effective dynamic scaling of computing power under peak load is offered. The results of the model experiments research of the developed load scheduling algorithm are set out. These results show the effectiveness of the algorithm even with a significant expansion in the number of connected nodes and zoom in the architecture distributed computing system.
A Multi-scale Modeling System with Unified Physics to Study Precipitation Processes
NASA Astrophysics Data System (ADS)
Tao, W. K.
2017-12-01
In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (1) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), and (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF). The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, a review of developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitation, processes and their sensitivity on model resolution and microphysics schemes will be presented. Also how to use of the multi-satellite simulator to improve precipitation processes will be discussed.
Pynamic: the Python Dynamic Benchmark
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lee, G L; Ahn, D H; de Supinksi, B R
2007-07-10
Python is widely used in scientific computing to facilitate application development and to support features such as computational steering. Making full use of some of Python's popular features, which improve programmer productivity, leads to applications that access extremely high numbers of dynamically linked libraries (DLLs). As a result, some important Python-based applications severely stress a system's dynamic linking and loading capabilities and also cause significant difficulties for most development environment tools, such as debuggers. Furthermore, using the Python paradigm for large scale MPI-based applications can create significant file IO and further stress tools and operating systems. In this paper, wemore » present Pynamic, the first benchmark program to support configurable emulation of a wide-range of the DLL usage of Python-based applications for large scale systems. Pynamic has already accurately reproduced system software and tool issues encountered by important large Python-based scientific applications on our supercomputers. Pynamic provided insight for our system software and tool vendors, and our application developers, into the impact of several design decisions. As we describe the Pynamic benchmark, we will highlight some of the issues discovered in our large scale system software and tools using Pynamic.« less
NASA Astrophysics Data System (ADS)
Heinzeller, Dominikus; Duda, Michael G.; Kunstmann, Harald
2017-04-01
With strong financial and political support from national and international initiatives, exascale computing is projected for the end of this decade. Energy requirements and physical limitations imply the use of accelerators and the scaling out to orders of magnitudes larger numbers of cores then today to achieve this milestone. In order to fully exploit the capabilities of these Exascale computing systems, existing applications need to undergo significant development. The Model for Prediction Across Scales (MPAS) is a novel set of Earth system simulation components and consists of an atmospheric core, an ocean core, a land-ice core and a sea-ice core. Its distinct features are the use of unstructured Voronoi meshes and C-grid discretisation to address shortcomings of global models on regular grids and the use of limited area models nested in a forcing data set, with respect to parallel scalability, numerical accuracy and physical consistency. Here, we present work towards the application of the atmospheric core (MPAS-A) on current and future high performance computing systems for problems at extreme scale. In particular, we address the issue of massively parallel I/O by extending the model to support the highly scalable SIONlib library. Using global uniform meshes with a convection-permitting resolution of 2-3km, we demonstrate the ability of MPAS-A to scale out to half a million cores while maintaining a high parallel efficiency. We also demonstrate the potential benefit of a hybrid parallelisation of the code (MPI/OpenMP) on the latest generation of Intel's Many Integrated Core Architecture, the Intel Xeon Phi Knights Landing.
Experience in using commercial clouds in CMS
NASA Astrophysics Data System (ADS)
Bauerdick, L.; Bockelman, B.; Dykstra, D.; Fuess, S.; Garzoglio, G.; Girone, M.; Gutsche, O.; Holzman, B.; Hufnagel, D.; Kim, H.; Kennedy, R.; Mason, D.; Spentzouris, P.; Timm, S.; Tiradani, A.; Vaandering, E.; CMS Collaboration
2017-10-01
Historically high energy physics computing has been performed on large purpose-built computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.
Experience in using commercial clouds in CMS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bauerdick, L.; Bockelman, B.; Dykstra, D.
Historically high energy physics computing has been performed on large purposebuilt computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is amore » growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.« less
NASA Astrophysics Data System (ADS)
Hartmann, Alfred; Redfield, Steve
1989-04-01
This paper discusses design of large-scale (1000x 1000) optical crossbar switching networks for use in parallel processing supercom-puters. Alternative design sketches for an optical crossbar switching network are presented using free-space optical transmission with either a beam spreading/masking model or a beam steering model for internodal communications. The performances of alternative multiple access channel communications protocol-unslotted and slotted ALOHA and carrier sense multiple access (CSMA)-are compared with the performance of the classic arbitrated bus crossbar of conventional electronic parallel computing. These comparisons indicate an almost inverse relationship between ease of implementation and speed of operation. Practical issues of optical system design are addressed, and an optically addressed, composite spatial light modulator design is presented for fabrication to arbitrarily large scale. The wide range of switch architecture, communications protocol, optical systems design, device fabrication, and system performance problems presented by these design sketches poses a serious challenge to practical exploitation of highly parallel optical interconnects in advanced computer designs.
The NASA computer aided design and test system
NASA Technical Reports Server (NTRS)
Gould, J. M.; Juergensen, K.
1973-01-01
A family of computer programs facilitating the design, layout, evaluation, and testing of digital electronic circuitry is described. CADAT (computer aided design and test system) is intended for use by NASA and its contractors and is aimed predominantly at providing cost effective microelectronic subsystems based on custom designed metal oxide semiconductor (MOS) large scale integrated circuits (LSIC's). CADAT software can be easily adopted by installations with a wide variety of computer hardware configurations. Its structure permits ease of update to more powerful component programs and to newly emerging LSIC technologies. The components of the CADAT system are described stressing the interaction of programs rather than detail of coding or algorithms. The CADAT system provides computer aids to derive and document the design intent, includes powerful automatic layout software, permits detailed geometry checks and performance simulation based on mask data, and furnishes test pattern sequences for hardware testing.
Methods for High-Order Multi-Scale and Stochastic Problems Analysis, Algorithms, and Applications
2016-10-17
finite volume schemes, discontinuous Galerkin finite element method, and related methods, for solving computational fluid dynamics (CFD) problems and...approximation for finite element methods. (3) The development of methods of simulation and analysis for the study of large scale stochastic systems of...laws, finite element method, Bernstein-Bezier finite elements , weakly interacting particle systems, accelerated Monte Carlo, stochastic networks 16
The Scalable Checkpoint/Restart Library
DOE Office of Scientific and Technical Information (OSTI.GOV)
Moody, A.
The Scalable Checkpoint/Restart (SCR) library provides an interface that codes may use to worite our and read in application-level checkpoints in a scalable fashion. In the current implementation, checkpoint files are cached in local storage (hard disk or RAM disk) on the compute nodes. This technique provides scalable aggregate bandwidth and uses storage resources that are fully dedicated to the job. This approach addresses the two common drawbacks of checkpointing a large-scale application to a shared parallel file system, namely, limited bandwidth and file system contention. In fact, on current platforms, SCR scales linearly with the number of compute nodes.more » It has been benchmarked as high as 720GB/s on 1094 nodes of Atlas, which is nearly two orders of magnitude faster thanthe parallel file system.« less
Final Scientific Report: A Scalable Development Environment for Peta-Scale Computing
DOE Office of Scientific and Technical Information (OSTI.GOV)
Karbach, Carsten; Frings, Wolfgang
2013-02-22
This document is the final scientific report of the project DE-SC000120 (A scalable Development Environment for Peta-Scale Computing). The objective of this project is the extension of the Parallel Tools Platform (PTP) for applying it to peta-scale systems. PTP is an integrated development environment for parallel applications. It comprises code analysis, performance tuning, parallel debugging and system monitoring. The contribution of the Juelich Supercomputing Centre (JSC) aims to provide a scalable solution for system monitoring of supercomputers. This includes the development of a new communication protocol for exchanging status data between the target remote system and the client running PTP.more » The communication has to work for high latency. PTP needs to be implemented robustly and should hide the complexity of the supercomputer's architecture in order to provide a transparent access to various remote systems via a uniform user interface. This simplifies the porting of applications to different systems, because PTP functions as abstraction layer between parallel application developer and compute resources. The common requirement for all PTP components is that they have to interact with the remote supercomputer. E.g. applications are built remotely and performance tools are attached to job submissions and their output data resides on the remote system. Status data has to be collected by evaluating outputs of the remote job scheduler and the parallel debugger needs to control an application executed on the supercomputer. The challenge is to provide this functionality for peta-scale systems in real-time. The client server architecture of the established monitoring application LLview, developed by the JSC, can be applied to PTP's system monitoring. LLview provides a well-arranged overview of the supercomputer's current status. A set of statistics, a list of running and queued jobs as well as a node display mapping running jobs to their compute resources form the user display of LLview. These monitoring features have to be integrated into the development environment. Besides showing the current status PTP's monitoring also needs to allow for submitting and canceling user jobs. Monitoring peta-scale systems especially deals with presenting the large amount of status data in a useful manner. Users require to select arbitrary levels of detail. The monitoring views have to provide a quick overview of the system state, but also need to allow for zooming into specific parts of the system, into which the user is interested in. At present, the major batch systems running on supercomputers are PBS, TORQUE, ALPS and LoadLeveler, which have to be supported by both the monitoring and the job controlling component. Finally, PTP needs to be designed as generic as possible, so that it can be extended for future batch systems.« less
NASA Astrophysics Data System (ADS)
Wyborn, L. A.; Evans, B. J. K.; Pugh, T.; Lescinsky, D. T.; Foster, C.; Uhlherr, A.
2014-12-01
The National Computational Infrastructure (NCI) at the Australian National University (ANU) is a partnership between CSIRO, ANU, Bureau of Meteorology (BoM) and Geoscience Australia. Recent investments in a 1.2 PFlop Supercomputer (Raijin), ~ 20 PB data storage using Lustre filesystems and a 3000 core high performance cloud have created a hybrid platform for higher performance computing and data-intensive science to enable large scale earth and climate systems modelling and analysis. There are > 3000 users actively logging in and > 600 projects on the NCI system. Efficiently scaling and adapting data and software systems to petascale infrastructures requires the collaborative development of an architecture that is designed, programmed and operated to enable users to interactively invoke different forms of in-situ computation over complex and large scale data collections. NCI makes available major and long tail data collections from both the government and research sectors based on six themes: 1) weather, climate and earth system science model simulations, 2) marine and earth observations, 3) geosciences, 4) terrestrial ecosystems, 5) water and hydrology and 6) astronomy, bio and social. Collectively they span the lithosphere, crust, biosphere, hydrosphere, troposphere, and stratosphere. Collections are the operational form for data management and access. Similar data types from individual custodians are managed cohesively. Use of international standards for discovery and interoperability allow complex interactions within and between the collections. This design facilitates a transdisciplinary approach to research and enables a shift from small scale, 'stove-piped' science efforts to large scale, collaborative systems science. This new and complex infrastructure requires a move to shared, globally trusted software frameworks that can be maintained and updated. Workflow engines become essential and need to integrate provenance, versioning, traceability, repeatability and publication. There are also human resource challenges as highly skilled HPC/HPD specialists, specialist programmers, and data scientists are required whose skills can support scaling to the new paradigm of effective and efficient data-intensive earth science analytics on petascale, and soon to be exascale systems.
A Visual Analytics Paradigm Enabling Trillion-Edge Graph Exploration
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wong, Pak C.; Haglin, David J.; Gillen, David S.
We present a visual analytics paradigm and a system prototype for exploring web-scale graphs. A web-scale graph is described as a graph with ~one trillion edges and ~50 billion vertices. While there is an aggressive R&D effort in processing and exploring web-scale graphs among internet vendors such as Facebook and Google, visualizing a graph of that scale still remains an underexplored R&D area. The paper describes a nontraditional peek-and-filter strategy that facilitates the exploration of a graph database of unprecedented size for visualization and analytics. We demonstrate that our system prototype can 1) preprocess a graph with ~25 billion edgesmore » in less than two hours and 2) support database query and visualization on the processed graph database afterward. Based on our computational performance results, we argue that we most likely will achieve the one trillion edge mark (a computational performance improvement of 40 times) for graph visual analytics in the near future.« less
Using Rollback Avoidance to Mitigate Failures in Next-Generation Extreme-Scale Systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Levy, Scott N.
2016-05-01
High-performance computing (HPC) systems enable scientists to numerically model complex phenomena in many important physical systems. The next major milestone in the development of HPC systems is the construction of the rst supercomputer capable executing more than an exa op, 10 18 oating point operations per second. On systems of this scale, failures will occur much more frequently than on current systems. As a result, resilience is a key obstacle to building next-generation extremescale systems. Coordinated checkpointing is currently the most widely-used mechanism for handling failures on HPC systems. Although coordinated checkpointing remains e ective on current systems, increasing themore » scale of today's systems to build next-generation systems will increase the cost of fault tolerance as more and more time is taken away from the application to protect against or recover from failure. Rollback avoidance techniques seek to mitigate the cost of checkpoint/restart by allowing an application to continue its execution rather than rolling back to an earlier checkpoint when failures occur. These techniqes include failure prediction and preventive migration, replicated computation, fault-tolerant algorithms, and softwarebased memory fault correction. In this thesis, we examine how rollback avoidance techniques can be used to address failures on extreme-scale systems. Using a combination of analytic modeling and simulation, we evaluate the potential impact of rollback avoidance on these systems. We then present a novel rollback avoidance technique that exploits similarities in application memory. Finally, we examine the feasibility of using this technique to protect against memory faults in kernel memory.« less
Argonne Simulation Framework for Intelligent Transportation Systems
DOT National Transportation Integrated Search
1996-01-01
A simulation framework has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS). The simulator is designed to run on parallel computers and distribu...
Note: Measurement system for the radiative forcing of greenhouse gases in a laboratory scale.
Kawamura, Yoshiyuki
2016-01-01
The radiative forcing of the greenhouse gases has been studied being based on computational simulations or the observation of the real atmosphere meteorologically. In order to know the greenhouse effect more deeply and to study it from various viewpoints, the study on it in a laboratory scale is important. We have developed a direct measurement system for the infrared back radiation from the carbon dioxide (CO2) gas. The system configuration is similar with that of the practical earth-atmosphere-space system. Using this system, the back radiation from the CO2 gas was directly measured in a laboratory scale, which roughly coincides with meteorologically predicted value.
1977-10-01
APPROVED DATE FUNCTION APPROVED jDATE WRITER J . K-olanek 2/6/76 REVISIONS CHK DESCRIPTION REV CHK DESCRIPTION IREV REVISION jJ ~ ~ ~~~ _ II SHEET NO...DOCUMENT (CDBDD) 45 5.5 COMPUTER PROGRAM PACKAGE (CPP)- j 45 5.6 COMPUTER PROGRAM OPERATOR’S MANUAL (CPOM) 45 5.7 COMPUTER PROGRAM TEST PLAN (CPTPL) 45...I LIST OF FIGURES Number Page 1 JEWS Simplified Block Diagram 4 2 System Controller Architecture 5 SIZE CODE IDENT NO DRAWING NO. A 49956 SCALE REV J
AGIS: The ATLAS Grid Information System
NASA Astrophysics Data System (ADS)
Anisenkov, Alexey; Belov, Sergey; Di Girolamo, Alessandro; Gayazov, Stavro; Klimentov, Alexei; Oleynik, Danila; Senchenko, Alexander
2012-12-01
ATLAS is a particle physics experiment at the Large Hadron Collider at CERN. The experiment produces petabytes of data annually through simulation production and tens petabytes of data per year from the detector itself. The ATLAS Computing model embraces the Grid paradigm and a high degree of decentralization and computing resources able to meet ATLAS requirements of petabytes scale data operations. In this paper we present ATLAS Grid Information System (AGIS) designed to integrate configuration and status information about resources, services and topology of whole ATLAS Grid needed by ATLAS Distributed Computing applications and services.
Access control and privacy in large distributed systems
NASA Technical Reports Server (NTRS)
Leiner, B. M.; Bishop, M.
1986-01-01
Large scale distributed systems consists of workstations, mainframe computers, supercomputers and other types of servers, all connected by a computer network. These systems are being used in a variety of applications including the support of collaborative scientific research. In such an environment, issues of access control and privacy arise. Access control is required for several reasons, including the protection of sensitive resources and cost control. Privacy is also required for similar reasons, including the protection of a researcher's proprietary results. A possible architecture for integrating available computer and communications security technologies into a system that meet these requirements is described. This architecture is meant as a starting point for discussion, rather that the final answer.
Computer aided systems human engineering: A hypermedia tool
NASA Technical Reports Server (NTRS)
Boff, Kenneth R.; Monk, Donald L.; Cody, William J.
1992-01-01
The Computer Aided Systems Human Engineering (CASHE) system, Version 1.0, is a multimedia ergonomics database on CD-ROM for the Apple Macintosh II computer, being developed for use by human system designers, educators, and researchers. It will initially be available on CD-ROM and will allow users to access ergonomics data and models stored electronically as text, graphics, and audio. The CASHE CD-ROM, Version 1.0 will contain the Boff and Lincoln (1988) Engineering Data Compendium, MIL-STD-1472D and a unique, interactive simulation capability, the Perception and Performance Prototyper. Its features also include a specialized data retrieval, scaling, and analysis capability and the state of the art in information retrieval, browsing, and navigation.
Design for Run-Time Monitor on Cloud Computing
NASA Astrophysics Data System (ADS)
Kang, Mikyung; Kang, Dong-In; Yun, Mira; Park, Gyung-Leen; Lee, Junghoon
Cloud computing is a new information technology trend that moves computing and data away from desktops and portable PCs into large data centers. The basic principle of cloud computing is to deliver applications as services over the Internet as well as infrastructure. A cloud is the type of a parallel and distributed system consisting of a collection of inter-connected and virtualized computers that are dynamically provisioned and presented as one or more unified computing resources. The large-scale distributed applications on a cloud require adaptive service-based software, which has the capability of monitoring the system status change, analyzing the monitored information, and adapting its service configuration while considering tradeoffs among multiple QoS features simultaneously. In this paper, we design Run-Time Monitor (RTM) which is a system software to monitor the application behavior at run-time, analyze the collected information, and optimize resources on cloud computing. RTM monitors application software through library instrumentation as well as underlying hardware through performance counter optimizing its computing configuration based on the analyzed data.
ERIC Educational Resources Information Center
Padilla Mercado, Jeralyne B.; Coombs, Eri M.; De Jesus, Jenny P.; Bretz, Stacey Lowery; Danielson, Neil D.
2018-01-01
Multifunctional chemical analysis (MCA) systems provide a viable alternative for large scale instruction while supporting a hands-on approach to more advanced instrumentation. These systems are robust and typically use student stations connected to a remote central computer for data collection, minimizing the need for computers at every student…
NASA Technical Reports Server (NTRS)
McCloud, Peter L.
2010-01-01
Thermal Protection System (TPS) Cavity Heating is predicted using Computational Fluid Dynamics (CFD) on unstructured grids for both simplified cavities and actual cavity geometries. Validation was performed using comparisons to wind tunnel experimental results and CFD predictions using structured grids. Full-scale predictions were made for simplified and actual geometry configurations on the Space Shuttle Orbiter in a mission support timeframe.
He, Bo; Zhang, Shujing; Yan, Tianhong; Zhang, Tao; Liang, Yan; Zhang, Hongjin
2011-01-01
Mobile autonomous systems are very important for marine scientific investigation and military applications. Many algorithms have been studied to deal with the computational efficiency problem required for large scale simultaneous localization and mapping (SLAM) and its related accuracy and consistency. Among these methods, submap-based SLAM is a more effective one. By combining the strength of two popular mapping algorithms, the Rao-Blackwellised particle filter (RBPF) and extended information filter (EIF), this paper presents a combined SLAM-an efficient submap-based solution to the SLAM problem in a large scale environment. RBPF-SLAM is used to produce local maps, which are periodically fused into an EIF-SLAM algorithm. RBPF-SLAM can avoid linearization of the robot model during operating and provide a robust data association, while EIF-SLAM can improve the whole computational speed, and avoid the tendency of RBPF-SLAM to be over-confident. In order to further improve the computational speed in a real time environment, a binary-tree-based decision-making strategy is introduced. Simulation experiments show that the proposed combined SLAM algorithm significantly outperforms currently existing algorithms in terms of accuracy and consistency, as well as the computing efficiency. Finally, the combined SLAM algorithm is experimentally validated in a real environment by using the Victoria Park dataset.
Blade Displacement Predictions for the Full-Scale UH-60A Airloads Rotor
NASA Technical Reports Server (NTRS)
Bledron, Robert T.; Lee-Rausch, Elizabeth M.
2014-01-01
An unsteady Reynolds-Averaged Navier-Stokes solver for unstructured grids is loosely coupled to a rotorcraft comprehensive code and used to simulate two different test conditions from a wind-tunnel test of a full-scale UH-60A rotor. Performance data and sectional airloads from the simulation are compared with corresponding tunnel data to assess the level of fidelity of the aerodynamic aspects of the simulation. The focus then turns to a comparison of the blade displacements, both rigid (blade root) and elastic. Comparisons of computed root motions are made with data from three independent measurement systems. Finally, comparisons are made between computed elastic bending and elastic twist, and the corresponding measurements obtained from a photogrammetry system. Overall the correlation between computed and measured displacements was good, especially for the root pitch and lag motions and the elastic bending deformation. The correlation of root lead-lag motion and elastic twist deformation was less favorable.
Design Aspects of the Rayleigh Convection Code
NASA Astrophysics Data System (ADS)
Featherstone, N. A.
2017-12-01
Understanding the long-term generation of planetary or stellar magnetic field requires complementary knowledge of the large-scale fluid dynamics pervading large fractions of the object's interior. Such large-scale motions are sensitive to the system's geometry which, in planets and stars, is spherical to a good approximation. As a result, computational models designed to study such systems often solve the MHD equations in spherical geometry, frequently employing a spectral approach involving spherical harmonics. We present computational and user-interface design aspects of one such modeling tool, the Rayleigh convection code, which is suitable for deployment on desktop and petascale-hpc architectures alike. In this poster, we will present an overview of this code's parallel design and its built-in diagnostics-output package. Rayleigh has been developed with NSF support through the Computational Infrastructure for Geodynamics and is expected to be released as open-source software in winter 2017/2018.
Massive Cloud-Based Big Data Processing for Ocean Sensor Networks and Remote Sensing
NASA Astrophysics Data System (ADS)
Schwehr, K. D.
2017-12-01
Until recently, the work required to integrate and analyze data for global-scale environmental issues was prohibitive both in cost and availability. Traditional desktop processing systems are not able to effectively store and process all the data, and super computer solutions are financially out of the reach of most people. The availability of large-scale cloud computing has created tools that are usable by small groups and individuals regardless of financial resources or locally available computational resources. These systems give scientists and policymakers the ability to see how critical resources are being used across the globe with little or no barrier to entry. Google Earth Engine has the Moderate Resolution Imaging Spectroradiometer (MODIS) Terra, MODIS Aqua, and Global Land Data Assimilation Systems (GLDAS) data catalogs available live online. Here we demonstrate these data to calculate the correlation between lagged chlorophyll and rainfall to identify areas of eutrophication, matching these events to ocean currents from datasets like HYbrid Coordinate Ocean Model (HYCOM) to check if there are constraints from oceanographic configurations. The system can provide addition ground truth with observations from sensor networks like the International Comprehensive Ocean-Atmosphere Data Set / Voluntary Observing Ship (ICOADS/VOS) and Argo floats. This presentation is intended to introduce users to the datasets, programming idioms, and functionality of Earth Engine for large-scale, data-driven oceanography.
LEMON - LHC Era Monitoring for Large-Scale Infrastructures
NASA Astrophysics Data System (ADS)
Marian, Babik; Ivan, Fedorko; Nicholas, Hook; Hector, Lansdale Thomas; Daniel, Lenkes; Miroslav, Siket; Denis, Waldron
2011-12-01
At the present time computer centres are facing a massive rise in virtualization and cloud computing as these solutions bring advantages to service providers and consolidate the computer centre resources. However, as a result the monitoring complexity is increasing. Computer centre management requires not only to monitor servers, network equipment and associated software but also to collect additional environment and facilities data (e.g. temperature, power consumption, cooling efficiency, etc.) to have also a good overview of the infrastructure performance. The LHC Era Monitoring (Lemon) system is addressing these requirements for a very large scale infrastructure. The Lemon agent that collects data on every client and forwards the samples to the central measurement repository provides a flexible interface that allows rapid development of new sensors. The system allows also to report on behalf of remote devices such as switches and power supplies. Online and historical data can be visualized via a web-based interface or retrieved via command-line tools. The Lemon Alarm System component can be used for notifying the operator about error situations. In this article, an overview of the Lemon monitoring is provided together with a description of the CERN LEMON production instance. No direct comparison is made with other monitoring tool.
NASA Technical Reports Server (NTRS)
Clayton, K. M. (Principal Investigator)
1975-01-01
The author has identified the following significant results. An objective system for regionalization is described, using ERTS-1 (or LANDSAT) computer compatible tapes. A range of computer programs for analysis of these tapes was developed. Emphasis is on a level of generalization appropriate to a satellite system whith repetitive global coverage. The main variables are land/water ratios and vegetation cover. The scale or texture of the pattern of change in these variables varies a good deal across the earth's surface, and it seems best if the unit of generalization adopted varies in sympathy with the surface being analyzed.
Large scale cardiac modeling on the Blue Gene supercomputer.
Reumann, Matthias; Fitch, Blake G; Rayshubskiy, Aleksandr; Keller, David U; Weiss, Daniel L; Seemann, Gunnar; Dössel, Olaf; Pitman, Michael C; Rice, John J
2008-01-01
Multi-scale, multi-physical heart models have not yet been able to include a high degree of accuracy and resolution with respect to model detail and spatial resolution due to computational limitations of current systems. We propose a framework to compute large scale cardiac models. Decomposition of anatomical data in segments to be distributed on a parallel computer is carried out by optimal recursive bisection (ORB). The algorithm takes into account a computational load parameter which has to be adjusted according to the cell models used. The diffusion term is realized by the monodomain equations. The anatomical data-set was given by both ventricles of the Visible Female data-set in a 0.2 mm resolution. Heterogeneous anisotropy was included in the computation. Model weights as input for the decomposition and load balancing were set to (a) 1 for tissue and 0 for non-tissue elements; (b) 10 for tissue and 1 for non-tissue elements. Scaling results for 512, 1024, 2048, 4096 and 8192 computational nodes were obtained for 10 ms simulation time. The simulations were carried out on an IBM Blue Gene/L parallel computer. A 1 s simulation was then carried out on 2048 nodes for the optimal model load. Load balances did not differ significantly across computational nodes even if the number of data elements distributed to each node differed greatly. Since the ORB algorithm did not take into account computational load due to communication cycles, the speedup is close to optimal for the computation time but not optimal overall due to the communication overhead. However, the simulation times were reduced form 87 minutes on 512 to 11 minutes on 8192 nodes. This work demonstrates that it is possible to run simulations of the presented detailed cardiac model within hours for the simulation of a heart beat.
Atomic switch networks-nanoarchitectonic design of a complex system for natural computing.
Demis, E C; Aguilera, R; Sillin, H O; Scharnhorst, K; Sandouk, E J; Aono, M; Stieg, A Z; Gimzewski, J K
2015-05-22
Self-organized complex systems are ubiquitous in nature, and the structural complexity of these natural systems can be used as a model to design new classes of functional nanotechnology based on highly interconnected networks of interacting units. Conventional fabrication methods for electronic computing devices are subject to known scaling limits, confining the diversity of possible architectures. This work explores methods of fabricating a self-organized complex device known as an atomic switch network and discusses its potential utility in computing. Through a merger of top-down and bottom-up techniques guided by mathematical and nanoarchitectonic design principles, we have produced functional devices comprising nanoscale elements whose intrinsic nonlinear dynamics and memorization capabilities produce robust patterns of distributed activity and a capacity for nonlinear transformation of input signals when configured in the appropriate network architecture. Their operational characteristics represent a unique potential for hardware implementation of natural computation, specifically in the area of reservoir computing-a burgeoning field that investigates the computational aptitude of complex biologically inspired systems.
Progress in Machine Learning Studies for the CMS Computing Infrastructure
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bonacorsi, Daniele; Kuznetsov, Valentin; Magini, Nicolo
Here, computing systems for LHC experiments developed together with Grids worldwide. While a complete description of the original Grid-based infrastructure and services for LHC experiments and its recent evolutions can be found elsewhere, it is worth to mention here the scale of the computing resources needed to fulfill the needs of LHC experiments in Run-1 and Run-2 so far.
Progress in Machine Learning Studies for the CMS Computing Infrastructure
Bonacorsi, Daniele; Kuznetsov, Valentin; Magini, Nicolo; ...
2017-12-06
Here, computing systems for LHC experiments developed together with Grids worldwide. While a complete description of the original Grid-based infrastructure and services for LHC experiments and its recent evolutions can be found elsewhere, it is worth to mention here the scale of the computing resources needed to fulfill the needs of LHC experiments in Run-1 and Run-2 so far.
Theoretical Definition of Instructor Role in Computer-Managed Instruction.
ERIC Educational Resources Information Center
McCombs, Barbara L.; Dobrovolny, Jacqueline L.
This report describes the results of a theoretical analysis of the ideal role functions of the Computer Managed Instruction (CMI) instructor. Concepts relevant to instructor behavior are synthesized from both cognitive and operant learning theory perspectives, and the roles allocated to instructors by seven large-scale operational CMI systems are…
Shalf, John M.; Leland, Robert
2015-12-01
Here, photolithography systems are on pace to reach atomic scale by the mid-2020s, necessitating alternatives to continue realizing faster, more predictable, and cheaper computing performance. If the end of Moore's law is real, a research agenda is needed to assess the viability of novel semiconductor technologies and navigate the ensuing challenges.
Catalytic ignition model in a monolithic reactor with in-depth reaction
NASA Technical Reports Server (NTRS)
Tien, Ta-Ching; Tien, James S.
1990-01-01
Two transient models have been developed to study the catalytic ignition in a monolithic catalytic reactor. The special feature in these models is the inclusion of thermal and species structures in the porous catalytic layer. There are many time scales involved in the catalytic ignition problem, and these two models are developed with different time scales. In the full transient model, the equations are non-dimensionalized by the shortest time scale (mass diffusion across the catalytic layer). It is therefore accurate but is computationally costly. In the energy-integral model, only the slowest process (solid heat-up) is taken as nonsteady. It is approximate but computationally efficient. In the computations performed, the catalyst is platinum and the reactants are rich mixtures of hydrogen and oxygen. One-step global chemical reaction rates are used for both gas-phase homogeneous reaction and catalytic heterogeneous reaction. The computed results reveal the transient ignition processes in detail, including the structure variation with time in the reactive catalytic layer. An ignition map using reactor length and catalyst loading is constructed. The comparison of computed results between the two transient models verifies the applicability of the energy-integral model when the time is greater than the second largest time scale of the system. It also suggests that a proper combined use of the two models can catch all the transient phenomena while minimizing the computational cost.
HEPCloud, a New Paradigm for HEP Facilities: CMS Amazon Web Services Investigation
Holzman, Burt; Bauerdick, Lothar A. T.; Bockelman, Brian; ...
2017-09-29
Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has been an exponential increase in the capacity and capability of commercial clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest among the cloud providers to demonstrate the capability to perform large-scale scientific computing. In this paper, we discuss results from the CMS experiment using the Fermilab HEPCloud facility, which utilized bothmore » local Fermilab resources and virtual machines in the Amazon Web Services Elastic Compute Cloud. We discuss the planning, technical challenges, and lessons learned involved in performing physics workflows on a large-scale set of virtualized resources. Additionally, we will discuss the economics and operational efficiencies when executing workflows both in the cloud and on dedicated resources.« less
HEPCloud, a New Paradigm for HEP Facilities: CMS Amazon Web Services Investigation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Holzman, Burt; Bauerdick, Lothar A. T.; Bockelman, Brian
Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has been an exponential increase in the capacity and capability of commercial clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest among the cloud providers to demonstrate the capability to perform large-scale scientific computing. In this paper, we discuss results from the CMS experiment using the Fermilab HEPCloud facility, which utilized bothmore » local Fermilab resources and virtual machines in the Amazon Web Services Elastic Compute Cloud. We discuss the planning, technical challenges, and lessons learned involved in performing physics workflows on a large-scale set of virtualized resources. Additionally, we will discuss the economics and operational efficiencies when executing workflows both in the cloud and on dedicated resources.« less
The economics of time shared computing: Congestion, user costs and capacity
NASA Technical Reports Server (NTRS)
Agnew, C. E.
1982-01-01
Time shared systems permit the fixed costs of computing resources to be spread over large numbers of users. However, bottleneck results in the theory of closed queueing networks can be used to show that this economy of scale will be offset by the increased congestion that results as more users are added to the system. If one considers the total costs, including the congestion cost, there is an optimal number of users for a system which equals the saturation value usually used to define system capacity.
NASA Technical Reports Server (NTRS)
Nalepka, R. F. (Principal Investigator); Kauth, R. J.; Thomas, G. S.
1976-01-01
The author has identified the following significant results. A conceptual man machine system framework was created for a large scale agricultural remote sensing system. The system is based on and can grow out of the local recognition mode of LACIE, through a gradual transition wherein computer support functions supplement and replace AI functions. Local proportion estimation functions are broken into two broad classes: (1) organization of the data within the sample segment; and (2) identification of the fields or groups of fields in the sample segment.
Improving Design Efficiency for Large-Scale Heterogeneous Circuits
NASA Astrophysics Data System (ADS)
Gregerson, Anthony
Despite increases in logic density, many Big Data applications must still be partitioned across multiple computing devices in order to meet their strict performance requirements. Among the most demanding of these applications is high-energy physics (HEP), which uses complex computing systems consisting of thousands of FPGAs and ASICs to process the sensor data created by experiments at particles accelerators such as the Large Hadron Collider (LHC). Designing such computing systems is challenging due to the scale of the systems, the exceptionally high-throughput and low-latency performance constraints that necessitate application-specific hardware implementations, the requirement that algorithms are efficiently partitioned across many devices, and the possible need to update the implemented algorithms during the lifetime of the system. In this work, we describe our research to develop flexible architectures for implementing such large-scale circuits on FPGAs. In particular, this work is motivated by (but not limited in scope to) high-energy physics algorithms for the Compact Muon Solenoid (CMS) experiment at the LHC. To make efficient use of logic resources in multi-FPGA systems, we introduce Multi-Personality Partitioning, a novel form of the graph partitioning problem, and present partitioning algorithms that can significantly improve resource utilization on heterogeneous devices while also reducing inter-chip connections. To reduce the high communication costs of Big Data applications, we also introduce Information-Aware Partitioning, a partitioning method that analyzes the data content of application-specific circuits, characterizes their entropy, and selects circuit partitions that enable efficient compression of data between chips. We employ our information-aware partitioning method to improve the performance of the hardware validation platform for evaluating new algorithms for the CMS experiment. Together, these research efforts help to improve the efficiency and decrease the cost of the developing large-scale, heterogeneous circuits needed to enable large-scale application in high-energy physics and other important areas.
Mishra, Bud; Daruwala, Raoul-Sam; Zhou, Yi; Ugel, Nadia; Policriti, Alberto; Antoniotti, Marco; Paxia, Salvatore; Rejali, Marc; Rudra, Archisman; Cherepinsky, Vera; Silver, Naomi; Casey, William; Piazza, Carla; Simeoni, Marta; Barbano, Paolo; Spivak, Marina; Feng, Jiawu; Gill, Ofer; Venkatesh, Mysore; Cheng, Fang; Sun, Bing; Ioniata, Iuliana; Anantharaman, Thomas; Hubbard, E Jane Albert; Pnueli, Amir; Harel, David; Chandru, Vijay; Hariharan, Ramesh; Wigler, Michael; Park, Frank; Lin, Shih-Chieh; Lazebnik, Yuri; Winkler, Franz; Cantor, Charles R; Carbone, Alessandra; Gromov, Mikhael
2003-01-01
We collaborate in a research program aimed at creating a rigorous framework, experimental infrastructure, and computational environment for understanding, experimenting with, manipulating, and modifying a diverse set of fundamental biological processes at multiple scales and spatio-temporal modes. The novelty of our research is based on an approach that (i) requires coevolution of experimental science and theoretical techniques and (ii) exploits a certain universality in biology guided by a parsimonious model of evolutionary mechanisms operating at the genomic level and manifesting at the proteomic, transcriptomic, phylogenic, and other higher levels. Our current program in "systems biology" endeavors to marry large-scale biological experiments with the tools to ponder and reason about large, complex, and subtle natural systems. To achieve this ambitious goal, ideas and concepts are combined from many different fields: biological experimentation, applied mathematical modeling, computational reasoning schemes, and large-scale numerical and symbolic simulations. From a biological viewpoint, the basic issues are many: (i) understanding common and shared structural motifs among biological processes; (ii) modeling biological noise due to interactions among a small number of key molecules or loss of synchrony; (iii) explaining the robustness of these systems in spite of such noise; and (iv) cataloging multistatic behavior and adaptation exhibited by many biological processes.
Importance of balanced architectures in the design of high-performance imaging systems
NASA Astrophysics Data System (ADS)
Sgro, Joseph A.; Stanton, Paul C.
1999-03-01
Imaging systems employed in demanding military and industrial applications, such as automatic target recognition and computer vision, typically require real-time high-performance computing resources. While high- performances computing systems have traditionally relied on proprietary architectures and custom components, recent advances in high performance general-purpose microprocessor technology have produced an abundance of low cost components suitable for use in high-performance computing systems. A common pitfall in the design of high performance imaging system, particularly systems employing scalable multiprocessor architectures, is the failure to balance computational and memory bandwidth. The performance of standard cluster designs, for example, in which several processors share a common memory bus, is typically constrained by memory bandwidth. The symptom characteristic of this problem is failure to the performance of the system to scale as more processors are added. The problem becomes exacerbated if I/O and memory functions share the same bus. The recent introduction of microprocessors with large internal caches and high performance external memory interfaces makes it practical to design high performance imaging system with balanced computational and memory bandwidth. Real word examples of such designs will be presented, along with a discussion of adapting algorithm design to best utilize available memory bandwidth.
Description of a MIL-STD-1553B Data Bus Ada Driver for the LeRC EPS Testbed
NASA Technical Reports Server (NTRS)
Mackin, Michael A.
1995-01-01
This document describes the software designed to provide communication between control computers in the NASA Lewis Research Center Electrical Power System Testbed using MIL-STD-1553B. The software drivers are coded in the Ada programming language and were developed on a MSDOS-based computer workstation. The Electrical Power System (EPS) Testbed is a reduced-scale prototype space station electrical power system. The power system manages and distributes electrical power from the sources (batteries or photovoltaic arrays) to the end-user loads. The electrical system primary operates at 120 volts DC, and the secondary system operates at 28 volts DC. The devices which direct the flow of electrical power are controlled by a network of six control computers. Data and control messages are passed between the computers using the MIL-STD-1553B network. One of the computers, the Power Management Controller (PMC), controls the primary power distribution and another, the Load Management Controller (LMC), controls the secondary power distribution. Each of these computers communicates with two other computers which act as subsidiary controllers. These subsidiary controllers are, in turn, connected to the devices which directly control the flow of electrical power.
NCI HPC Scaling and Optimisation in Climate, Weather, Earth system science and the Geosciences
NASA Astrophysics Data System (ADS)
Evans, B. J. K.; Bermous, I.; Freeman, J.; Roberts, D. S.; Ward, M. L.; Yang, R.
2016-12-01
The Australian National Computational Infrastructure (NCI) has a national focus in the Earth system sciences including climate, weather, ocean, water management, environment and geophysics. NCI leads a Program across its partners from the Australian science agencies and research communities to identify priority computational models to scale-up. Typically, these cases place a large overall demand on the available computer time, need to scale to higher resolutions, use excessive scarce resources such as large memory or bandwidth that limits, or in some cases, need to meet requirements for transition to a separate operational forecasting system, with set time-windows. The model codes include the UK Met Office Unified Model atmospheric model (UM), GFDL's Modular Ocean Model (MOM), both the UK Met Office's GC3 and Australian ACCESS coupled-climate systems (including sea ice), 4D-Var data assimilation and satellite processing, the Regional Ocean Model (ROMS), and WaveWatch3 as well as geophysics codes including hazards, magentuellerics, seismic inversions, and geodesy. Many of these codes use significant compute resources both for research applications as well as within the operational systems. Some of these models are particularly complex, and their behaviour had not been critically analysed for effective use of the NCI supercomputer or how they could be improved. As part of the Program, we have established a common profiling methodology that uses a suite of open source tools for performing scaling analyses. The most challenging cases are profiling multi-model coupled systems where the component models have their own complex algorithms and performance issues. We have also found issues within the current suite of profiling tools, and no single tool fully exposes the nature of the code performance. As a result of this work, international collaborations are now in place to ensure that improvements are incorporated within the community models, and our effort can be targeted in a coordinated way. The coordinations have involved user stakeholders, the model developer community, and dependent software libraries. For example, we have spent significant time characterising I/O scalability, and improving the use of libraries such as NetCDF and HDF5.
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.
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
Computational modeling of the obstructive lung diseases asthma and COPD
2014-01-01
Asthma and chronic obstructive pulmonary disease (COPD) are characterized by airway obstruction and airflow limitation and pose a huge burden to society. These obstructive lung diseases impact the lung physiology across multiple biological scales. Environmental stimuli are introduced via inhalation at the organ scale, and consequently impact upon the tissue, cellular and sub-cellular scale by triggering signaling pathways. These changes are propagated upwards to the organ level again and vice versa. In order to understand the pathophysiology behind these diseases we need to integrate and understand changes occurring across these scales and this is the driving force for multiscale computational modeling. There is an urgent need for improved diagnosis and assessment of obstructive lung diseases. Standard clinical measures are based on global function tests which ignore the highly heterogeneous regional changes that are characteristic of obstructive lung disease pathophysiology. Advances in scanning technology such as hyperpolarized gas MRI has led to new regional measurements of ventilation, perfusion and gas diffusion in the lungs, while new image processing techniques allow these measures to be combined with information from structural imaging such as Computed Tomography (CT). However, it is not yet known how to derive clinical measures for obstructive diseases from this wealth of new data. Computational modeling offers a powerful approach for investigating this relationship between imaging measurements and disease severity, and understanding the effects of different disease subtypes, which is key to developing improved diagnostic methods. Gaining an understanding of a system as complex as the respiratory system is difficult if not impossible via experimental methods alone. Computational models offer a complementary method to unravel the structure-function relationships occurring within a multiscale, multiphysics system such as this. Here we review the current state-of-the-art in techniques developed for pulmonary image analysis, development of structural models of the respiratory system and predictions of function within these models. We discuss application of modeling techniques to obstructive lung diseases, namely asthma and emphysema and the use of models to predict response to therapy. Finally we introduce a large European project, AirPROM that is developing multiscale models to investigate structure-function relationships in asthma and COPD. PMID:25471125
Tri-Laboratory Linux Capacity Cluster 2007 SOW
DOE Office of Scientific and Technical Information (OSTI.GOV)
Seager, M
2007-03-22
The Advanced Simulation and Computing (ASC) Program (formerly know as Accelerated Strategic Computing Initiative, ASCI) has led the world in capability computing for the last ten years. Capability computing is defined as a world-class platform (in the Top10 of the Top500.org list) with scientific simulations running at scale on the platform. Example systems are ASCI Red, Blue-Pacific, Blue-Mountain, White, Q, RedStorm, and Purple. ASC applications have scaled to multiple thousands of CPUs and accomplished a long list of mission milestones on these ASC capability platforms. However, the computing demands of the ASC and Stockpile Stewardship programs also include a vastmore » number of smaller scale runs for day-to-day simulations. Indeed, every 'hero' capability run requires many hundreds to thousands of much smaller runs in preparation and post processing activities. In addition, there are many aspects of the Stockpile Stewardship Program (SSP) that can be directly accomplished with these so-called 'capacity' calculations. The need for capacity is now so great within the program that it is increasingly difficult to allocate the computer resources required by the larger capability runs. To rectify the current 'capacity' computing resource shortfall, the ASC program has allocated a large portion of the overall ASC platforms budget to 'capacity' systems. In addition, within the next five to ten years the Life Extension Programs (LEPs) for major nuclear weapons systems must be accomplished. These LEPs and other SSP programmatic elements will further drive the need for capacity calculations and hence 'capacity' systems as well as future ASC capability calculations on 'capability' systems. To respond to this new workload analysis, the ASC program will be making a large sustained strategic investment in these capacity systems over the next ten years, starting with the United States Government Fiscal Year 2007 (GFY07). However, given the growing need for 'capability' systems as well, the budget demands are extreme and new, more cost effective ways of fielding these systems must be developed. This Tri-Laboratory Linux Capacity Cluster (TLCC) procurement represents the ASC first investment vehicle in these capacity systems. It also represents a new strategy for quickly building, fielding and integrating many Linux clusters of various sizes into classified and unclassified production service through a concept of Scalable Units (SU). The programmatic objective is to dramatically reduce the overall Total Cost of Ownership (TCO) of these 'capacity' systems relative to the best practices in Linux Cluster deployments today. This objective only makes sense in the context of these systems quickly becoming very robust and useful production clusters under the crushing load that will be inflicted on them by the ASC and SSP scientific simulation capacity workload.« less
The Next Frontier in Computing
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sarrao, John
2016-11-16
Exascale computing refers to computing systems capable of at least one exaflop or a billion calculations per second (1018). That is 50 times faster than the most powerful supercomputers being used today and represents a thousand-fold increase over the first petascale computer that came into operation in 2008. How we use these large-scale simulation resources is the key to solving some of today’s most pressing problems, including clean energy production, nuclear reactor lifetime extension and nuclear stockpile aging.
Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele
2016-12-07
Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.
NASA Astrophysics Data System (ADS)
Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele
2016-12-01
Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.
From particle condensation to polymer aggregation
NASA Astrophysics Data System (ADS)
Janke, Wolfhard; Zierenberg, Johannes
2018-01-01
We draw an analogy between droplet formation in dilute particle and polymer systems. Our arguments are based on finite-size scaling results from studies of a two-dimensional lattice gas to three-dimensional bead-spring polymers. To set the results in perspective, we compare with in part rigorous theoretical scaling laws for canonical condensation in a supersaturated gas at fixed temperature, and derive corresponding scaling predictions for an undercooled gas at fixed density. The latter allows one to efficiently employ parallel multicanonical simulations and to reach previously not accessible scaling regimes. While the asymptotic scaling can not be observed for the comparably small polymer system sizes, they demonstrate an intermediate scaling regime also observable for particle condensation. Altogether, our extensive results from computer simulations provide clear evidence for the close analogy between particle condensation and polymer aggregation in dilute systems.
Toward a theoretical framework for trustworthy cyber sensing
NASA Astrophysics Data System (ADS)
Xu, Shouhuai
2010-04-01
Cyberspace is an indispensable part of the economy and society, but has been "polluted" with many compromised computers that can be abused to launch further attacks against the others. Since it is likely that there always are compromised computers, it is important to be aware of the (dynamic) cyber security-related situation, which is however challenging because cyberspace is an extremely large-scale complex system. Our project aims to investigate a theoretical framework for trustworthy cyber sensing. With the perspective of treating cyberspace as a large-scale complex system, the core question we aim to address is: What would be a competent theoretical (mathematical and algorithmic) framework for designing, analyzing, deploying, managing, and adapting cyber sensor systems so as to provide trustworthy information or input to the higher layer of cyber situation-awareness management, even in the presence of sophisticated malicious attacks against the cyber sensor systems?
NASA Astrophysics Data System (ADS)
Delle Fratte, C.; Kennedy, J. A.; Kluth, S.; Mazzaferro, L.
2015-12-01
In a grid computing infrastructure tasks such as continuous upgrades, services installations and software deployments are part of an admins daily work. In such an environment tools to help with the management, provisioning and monitoring of the deployed systems and services have become crucial. As experiments such as the LHC increase in scale, the computing infrastructure also becomes larger and more complex. Moreover, today's admins increasingly work within teams that share responsibilities and tasks. Such a scaled up situation requires tools that not only simplify the workload on administrators but also enable them to work seamlessly in teams. In this paper will be presented our experience from managing the Max Planck Institute Tier2 using Puppet and Gitolite in a cooperative way to help the system administrator in their daily work. In addition to describing the Puppet-Gitolite system, best practices and customizations will also be shown.
Energy reduction through voltage scaling and lightweight checking
NASA Astrophysics Data System (ADS)
Kadric, Edin
As the semiconductor roadmap reaches smaller feature sizes and the end of Dennard Scaling, design goals change, and managing the power envelope often dominates delay minimization. Voltage scaling remains a powerful tool to reduce energy. We find that it results in about 60% geomean energy reduction on top of other common low-energy optimizations with 22nm CMOS technology. However, when voltage is reduced, it becomes easier for noise and particle strikes to upset a node, potentially causing Silent Data Corruption (SDC). The 60% energy reduction, therefore, comes with a significant drop in reliability. Duplication with checking and triple-modular redundancy are traditional approaches used to combat transient errors, but spending 2--3x the energy for redundant computation can diminish or reverse the benefits of voltage scaling. As an alternative, we explore the opportunity to use checking operations that are cheaper than the base computation they are guarding. We devise a classification system for applications and their lightweight checking characteristics. In particular, we identify and evaluate the effectiveness of lightweight checks in a broad set of common tasks in scientific computing and signal processing. We find that the lightweight checks cost only a fraction of the base computation (0-25%) and allow us to recover the reliability losses from voltage scaling. Overall, we show about 50% net energy reduction without compromising reliability compared to operation at the nominal voltage. We use FPGAs (Field-Programmable Gate Arrays) in our work, although the same ideas can be applied to different systems. On top of voltage scaling, we explore other common low-energy techniques for FPGAs: transmission gates, gate boosting, power gating, low-leakage (high-Vth) processes, and dual-V dd architectures. We do not scale voltage for memories, so lower voltages help us reduce logic and interconnect energy, but not memory energy. At lower voltages, memories become dominant, and we get diminishing returns from continuing to scale voltage. To ensure that memories do not become a bottleneck, we also design an energy-robust FPGA memory architecture, which attempts to minimize communication energy due to mismatches between application and architecture. We do this alongside application parallelism tuning. We show our techniques on a wide range of applications, including a large real-time system used for Wide-Area Motion Imaging (WAMI).
Enabling Co-Design of Multi-Layer Exascale Storage Architectures
DOE Office of Scientific and Technical Information (OSTI.GOV)
Carothers, Christopher
Growing demands for computing power in applications such as energy production, climate analysis, computational chemistry, and bioinformatics have propelled computing systems toward the exascale: systems with 10 18 floating-point operations per second. These systems, to be designed and constructed over the next decade, will create unprecedented challenges in component counts, power consumption, resource limitations, and system complexity. Data storage and access are an increasingly important and complex component in extreme-scale computing systems, and significant design work is needed to develop successful storage hardware and software architectures at exascale. Co-design of these systems will be necessary to find the best possiblemore » design points for exascale systems. The goal of this work has been to enable the exploration and co-design of exascale storage systems by providing a detailed, accurate, and highly parallel simulation of exascale storage and the surrounding environment. Specifically, this simulation has (1) portrayed realistic application checkpointing and analysis workloads, (2) captured the complexity, scale, and multilayer nature of exascale storage hardware and software, and (3) executed in a timeframe that enables “what if'” exploration of design concepts. We developed models of the major hardware and software components in an exascale storage system, as well as the application I/O workloads that drive them. We used our simulation system to investigate critical questions in reliability and concurrency at exascale, helping guide the design of future exascale hardware and software architectures. Additionally, we provided this system to interested vendors and researchers so that others can explore the design space. We validated the capabilities of our simulation environment by configuring the simulation to represent the Argonne Leadership Computing Facility Blue Gene/Q system and comparing simulation results for application I/O patterns to the results of executions of these I/O kernels on the actual system.« less
Lehtola, Susi; Parkhill, John; Head-Gordon, Martin
2016-10-07
Novel implementations based on dense tensor storage are presented here for the singlet-reference perfect quadruples (PQ) [J. A. Parkhill et al., J. Chem. Phys. 130, 084101 (2009)] and perfect hextuples (PH) [J. A. Parkhill and M. Head-Gordon, J. Chem. Phys. 133, 024103 (2010)] models. The methods are obtained as block decompositions of conventional coupled-cluster theory that are exact for four electrons in four orbitals (PQ) and six electrons in six orbitals (PH), but that can also be applied to much larger systems. PQ and PH have storage requirements that scale as the square, and as the cube of the numbermore » of active electrons, respectively, and exhibit quartic scaling of the computational effort for large systems. Applications of the new implementations are presented for full-valence calculations on linear polyenes (C nH n+2), which highlight the excellent computational scaling of the present implementations that can routinely handle active spaces of hundreds of electrons. The accuracy of the models is studied in the π space of the polyenes, in hydrogen chains (H 50), and in the π space of polyacene molecules. In all cases, the results compare favorably to density matrix renormalization group values. With the novel implementation of PQ, active spaces of 140 electrons in 140 orbitals can be solved in a matter of minutes on a single core workstation, and the relatively low polynomial scaling means that very large systems are also accessible using parallel computing.« less
Concurrent heterogeneous neural model simulation on real-time neuromimetic hardware.
Rast, Alexander; Galluppi, Francesco; Davies, Sergio; Plana, Luis; Patterson, Cameron; Sharp, Thomas; Lester, David; Furber, Steve
2011-11-01
Dedicated hardware is becoming increasingly essential to simulate emerging very-large-scale neural models. Equally, however, it needs to be able to support multiple models of the neural dynamics, possibly operating simultaneously within the same system. This may be necessary either to simulate large models with heterogeneous neural types, or to simplify simulation and analysis of detailed, complex models in a large simulation by isolating the new model to a small subpopulation of a larger overall network. The SpiNNaker neuromimetic chip is a dedicated neural processor able to support such heterogeneous simulations. Implementing these models on-chip uses an integrated library-based tool chain incorporating the emerging PyNN interface that allows a modeller to input a high-level description and use an automated process to generate an on-chip simulation. Simulations using both LIF and Izhikevich models demonstrate the ability of the SpiNNaker system to generate and simulate heterogeneous networks on-chip, while illustrating, through the network-scale effects of wavefront synchronisation and burst gating, methods that can provide effective behavioural abstractions for large-scale hardware modelling. SpiNNaker's asynchronous virtual architecture permits greater scope for model exploration, with scalable levels of functional and temporal abstraction, than conventional (or neuromorphic) computing platforms. The complete system illustrates a potential path to understanding the neural model of computation, by building (and breaking) neural models at various scales, connecting the blocks, then comparing them against the biology: computational cognitive neuroscience. Copyright © 2011 Elsevier Ltd. All rights reserved.
NASA Astrophysics Data System (ADS)
Lehtola, Susi; Parkhill, John; Head-Gordon, Martin
2016-10-01
Novel implementations based on dense tensor storage are presented for the singlet-reference perfect quadruples (PQ) [J. A. Parkhill et al., J. Chem. Phys. 130, 084101 (2009)] and perfect hextuples (PH) [J. A. Parkhill and M. Head-Gordon, J. Chem. Phys. 133, 024103 (2010)] models. The methods are obtained as block decompositions of conventional coupled-cluster theory that are exact for four electrons in four orbitals (PQ) and six electrons in six orbitals (PH), but that can also be applied to much larger systems. PQ and PH have storage requirements that scale as the square, and as the cube of the number of active electrons, respectively, and exhibit quartic scaling of the computational effort for large systems. Applications of the new implementations are presented for full-valence calculations on linear polyenes (CnHn+2), which highlight the excellent computational scaling of the present implementations that can routinely handle active spaces of hundreds of electrons. The accuracy of the models is studied in the π space of the polyenes, in hydrogen chains (H50), and in the π space of polyacene molecules. In all cases, the results compare favorably to density matrix renormalization group values. With the novel implementation of PQ, active spaces of 140 electrons in 140 orbitals can be solved in a matter of minutes on a single core workstation, and the relatively low polynomial scaling means that very large systems are also accessible using parallel computing.
Experimental comparison of two quantum computing architectures
Linke, Norbert M.; Maslov, Dmitri; Roetteler, Martin; Debnath, Shantanu; Figgatt, Caroline; Landsman, Kevin A.; Wright, Kenneth; Monroe, Christopher
2017-01-01
We run a selection of algorithms on two state-of-the-art 5-qubit quantum computers that are based on different technology platforms. One is a publicly accessible superconducting transmon device (www.research.ibm.com/ibm-q) with limited connectivity, and the other is a fully connected trapped-ion system. Even though the two systems have different native quantum interactions, both can be programed in a way that is blind to the underlying hardware, thus allowing a comparison of identical quantum algorithms between different physical systems. We show that quantum algorithms and circuits that use more connectivity clearly benefit from a better-connected system of qubits. Although the quantum systems here are not yet large enough to eclipse classical computers, this experiment exposes critical factors of scaling quantum computers, such as qubit connectivity and gate expressivity. In addition, the results suggest that codesigning particular quantum applications with the hardware itself will be paramount in successfully using quantum computers in the future. PMID:28325879
Computer aided system for parametric design of combination die
NASA Astrophysics Data System (ADS)
Naranje, Vishal G.; Hussein, H. M. A.; Kumar, S.
2017-09-01
In this paper, a computer aided system for parametric design of combination dies is presented. The system is developed using knowledge based system technique of artificial intelligence. The system is capable to design combination dies for production of sheet metal parts having punching and cupping operations. The system is coded in Visual Basic and interfaced with AutoCAD software. The low cost of the proposed system will help die designers of small and medium scale sheet metal industries for design of combination dies for similar type of products. The proposed system is capable to reduce design time and efforts of die designers for design of combination dies.
Chip-scale integrated optical interconnects: a key enabler for future high-performance computing
NASA Astrophysics Data System (ADS)
Haney, Michael; Nair, Rohit; Gu, Tian
2012-01-01
High Performance Computing (HPC) systems are putting ever-increasing demands on the throughput efficiency of their interconnection fabrics. In this paper, the limits of conventional metal trace-based inter-chip interconnect fabrics are examined in the context of state-of-the-art HPC systems, which currently operate near the 1 GFLOPS/W level. The analysis suggests that conventional metal trace interconnects will limit performance to approximately 6 GFLOPS/W in larger HPC systems that require many computer chips to be interconnected in parallel processing architectures. As the HPC communications bottlenecks push closer to the processing chips, integrated Optical Interconnect (OI) technology may provide the ultra-high bandwidths needed at the inter- and intra-chip levels. With inter-chip photonic link energies projected to be less than 1 pJ/bit, integrated OI is projected to enable HPC architecture scaling to the 50 GFLOPS/W level and beyond - providing a path to Peta-FLOPS-level HPC within a single rack, and potentially even Exa-FLOPSlevel HPC for large systems. A new hybrid integrated chip-scale OI approach is described and evaluated. The concept integrates a high-density polymer waveguide fabric directly on top of a multiple quantum well (MQW) modulator array that is area-bonded to the Silicon computing chip. Grayscale lithography is used to fabricate 5 μm x 5 μm polymer waveguides and associated novel small-footprint total internal reflection-based vertical input/output couplers directly onto a layer containing an array of GaAs MQW devices configured to be either absorption modulators or photodetectors. An external continuous wave optical "power supply" is coupled into the waveguide links. Contrast ratios were measured using a test rider chip in place of a Silicon processing chip. The results suggest that sub-pJ/b chip-scale communication is achievable with this concept. When integrated into high-density integrated optical interconnect fabrics, it could provide a seamless interconnect fabric spanning the intra-
A Survey of Techniques for Modeling and Improving Reliability of Computing Systems
Mittal, Sparsh; Vetter, Jeffrey S.
2015-04-24
Recent trends of aggressive technology scaling have greatly exacerbated the occurrences and impact of faults in computing systems. This has made `reliability' a first-order design constraint. To address the challenges of reliability, several techniques have been proposed. In this study, we provide a survey of architectural techniques for improving resilience of computing systems. We especially focus on techniques proposed for microarchitectural components, such as processor registers, functional units, cache and main memory etc. In addition, we discuss techniques proposed for non-volatile memory, GPUs and 3D-stacked processors. To underscore the similarities and differences of the techniques, we classify them based onmore » their key characteristics. We also review the metrics proposed to quantify vulnerability of processor structures. Finally, we believe that this survey will help researchers, system-architects and processor designers in gaining insights into the techniques for improving reliability of computing systems.« less
A Survey of Techniques for Modeling and Improving Reliability of Computing Systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mittal, Sparsh; Vetter, Jeffrey S.
Recent trends of aggressive technology scaling have greatly exacerbated the occurrences and impact of faults in computing systems. This has made `reliability' a first-order design constraint. To address the challenges of reliability, several techniques have been proposed. In this study, we provide a survey of architectural techniques for improving resilience of computing systems. We especially focus on techniques proposed for microarchitectural components, such as processor registers, functional units, cache and main memory etc. In addition, we discuss techniques proposed for non-volatile memory, GPUs and 3D-stacked processors. To underscore the similarities and differences of the techniques, we classify them based onmore » their key characteristics. We also review the metrics proposed to quantify vulnerability of processor structures. Finally, we believe that this survey will help researchers, system-architects and processor designers in gaining insights into the techniques for improving reliability of computing systems.« less
Data engineering systems: Computerized modeling and data bank capabilities for engineering analysis
NASA Technical Reports Server (NTRS)
Kopp, H.; Trettau, R.; Zolotar, B.
1984-01-01
The Data Engineering System (DES) is a computer-based system that organizes technical data and provides automated mechanisms for storage, retrieval, and engineering analysis. The DES combines the benefits of a structured data base system with automated links to large-scale analysis codes. While the DES provides the user with many of the capabilities of a computer-aided design (CAD) system, the systems are actually quite different in several respects. A typical CAD system emphasizes interactive graphics capabilities and organizes data in a manner that optimizes these graphics. On the other hand, the DES is a computer-aided engineering system intended for the engineer who must operationally understand an existing or planned design or who desires to carry out additional technical analysis based on a particular design. The DES emphasizes data retrieval in a form that not only provides the engineer access to search and display the data but also links the data automatically with the computer analysis codes.
A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics
Steinhauser, Martin O.; Hiermaier, Stefan
2009-01-01
This review discusses several computational methods used on different length and time scales for the simulation of material behavior. First, the importance of physical modeling and its relation to computer simulation on multiscales is discussed. Then, computational methods used on different scales are shortly reviewed, before we focus on the molecular dynamics (MD) method. Here we survey in a tutorial-like fashion some key issues including several MD optimization techniques. Thereafter, computational examples for the capabilities of numerical simulations in materials research are discussed. We focus on recent results of shock wave simulations of a solid which are based on two different modeling approaches and we discuss their respective assets and drawbacks with a view to their application on multiscales. Then, the prospects of computer simulations on the molecular length scale using coarse-grained MD methods are covered by means of examples pertaining to complex topological polymer structures including star-polymers, biomacromolecules such as polyelectrolytes and polymers with intrinsic stiffness. This review ends by highlighting new emerging interdisciplinary applications of computational methods in the field of medical engineering where the application of concepts of polymer physics and of shock waves to biological systems holds a lot of promise for improving medical applications such as extracorporeal shock wave lithotripsy or tumor treatment. PMID:20054467
NASA Astrophysics Data System (ADS)
Rundle, J.; Rundle, P.; Donnellan, A.; Li, P.
2003-12-01
We consider the problem of the complex dynamics of earthquake fault systems, and whether numerical simulations can be used to define an ensemble forecasting technology similar to that used in weather and climate research. To effectively carry out such a program, we need 1) a topological realistic model to simulate the fault system; 2) data sets to constrain the model parameters through a systematic program of data assimilation; 3) a computational technology making use of modern paradigms of high performance and parallel computing systems; and 4) software to visualize and analyze the results. In particular, we focus attention of a new version of our code Virtual California (version 2001) in which we model all of the major strike slip faults extending throughout California, from the Mexico-California border to the Mendocino Triple Junction. We use the historic data set of earthquakes larger than magnitude M > 6 to define the frictional properties of all 654 fault segments (degrees of freedom) in the model. Previous versions of Virtual California had used only 215 fault segments to model the strike slip faults in southern California. To compute the dynamics and the associated surface deformation, we use message passing as implemented in the MPICH standard distribution on a small Beowulf cluster consisting of 10 cpus. We are also planning to run the code on significantly larger machines so that we can begin to examine much finer spatial scales of resolution, and to assess scaling properties of the code. We present results of simulations both as static images and as mpeg movies, so that the dynamical aspects of the computation can be assessed by the viewer. We also compute a variety of statistics from the simulations, including magnitude-frequency relations, and compare these with data from real fault systems.
Towards Portable Large-Scale Image Processing with High-Performance Computing.
Huo, Yuankai; Blaber, Justin; Damon, Stephen M; Boyd, Brian D; Bao, Shunxing; Parvathaneni, Prasanna; Noguera, Camilo Bermudez; Chaganti, Shikha; Nath, Vishwesh; Greer, Jasmine M; Lyu, Ilwoo; French, William R; Newton, Allen T; Rogers, Baxter P; Landman, Bennett A
2018-05-03
High-throughput, large-scale medical image computing demands tight integration of high-performance computing (HPC) infrastructure for data storage, job distribution, and image processing. The Vanderbilt University Institute for Imaging Science (VUIIS) Center for Computational Imaging (CCI) has constructed a large-scale image storage and processing infrastructure that is composed of (1) a large-scale image database using the eXtensible Neuroimaging Archive Toolkit (XNAT), (2) a content-aware job scheduling platform using the Distributed Automation for XNAT pipeline automation tool (DAX), and (3) a wide variety of encapsulated image processing pipelines called "spiders." The VUIIS CCI medical image data storage and processing infrastructure have housed and processed nearly half-million medical image volumes with Vanderbilt Advanced Computing Center for Research and Education (ACCRE), which is the HPC facility at the Vanderbilt University. The initial deployment was natively deployed (i.e., direct installations on a bare-metal server) within the ACCRE hardware and software environments, which lead to issues of portability and sustainability. First, it could be laborious to deploy the entire VUIIS CCI medical image data storage and processing infrastructure to another HPC center with varying hardware infrastructure, library availability, and software permission policies. Second, the spiders were not developed in an isolated manner, which has led to software dependency issues during system upgrades or remote software installation. To address such issues, herein, we describe recent innovations using containerization techniques with XNAT/DAX which are used to isolate the VUIIS CCI medical image data storage and processing infrastructure from the underlying hardware and software environments. The newly presented XNAT/DAX solution has the following new features: (1) multi-level portability from system level to the application level, (2) flexible and dynamic software development and expansion, and (3) scalable spider deployment compatible with HPC clusters and local workstations.
Prospects for improving the representation of coastal and shelf seas in global ocean models
NASA Astrophysics Data System (ADS)
Holt, Jason; Hyder, Patrick; Ashworth, Mike; Harle, James; Hewitt, Helene T.; Liu, Hedong; New, Adrian L.; Pickles, Stephen; Porter, Andrew; Popova, Ekaterina; Icarus Allen, J.; Siddorn, John; Wood, Richard
2017-02-01
Accurately representing coastal and shelf seas in global ocean models represents one of the grand challenges of Earth system science. They are regions of immense societal importance through the goods and services they provide, hazards they pose and their role in global-scale processes and cycles, e.g. carbon fluxes and dense water formation. However, they are poorly represented in the current generation of global ocean models. In this contribution, we aim to briefly characterise the problem, and then to identify the important physical processes, and their scales, needed to address this issue in the context of the options available to resolve these scales globally and the evolving computational landscape.We find barotropic and topographic scales are well resolved by the current state-of-the-art model resolutions, e.g. nominal 1/12°, and still reasonably well resolved at 1/4°; here, the focus is on process representation. We identify tides, vertical coordinates, river inflows and mixing schemes as four areas where modelling approaches can readily be transferred from regional to global modelling with substantial benefit. In terms of finer-scale processes, we find that a 1/12° global model resolves the first baroclinic Rossby radius for only ˜ 8 % of regions < 500 m deep, but this increases to ˜ 70 % for a 1/72° model, so resolving scales globally requires substantially finer resolution than the current state of the art.We quantify the benefit of improved resolution and process representation using 1/12° global- and basin-scale northern North Atlantic nucleus for a European model of the ocean (NEMO) simulations; the latter includes tides and a k-ɛ vertical mixing scheme. These are compared with global stratification observations and 19 models from CMIP5. In terms of correlation and basin-wide rms error, the high-resolution models outperform all these CMIP5 models. The model with tides shows improved seasonal cycles compared to the high-resolution model without tides. The benefits of resolution are particularly apparent in eastern boundary upwelling zones.To explore the balance between the size of a globally refined model and that of multiscale modelling options (e.g. finite element, finite volume or a two-way nesting approach), we consider a simple scale analysis and a conceptual grid refining approach. We put this analysis in the context of evolving computer systems, discussing model turnaround time, scalability and resource costs. Using a simple cost model compared to a reference configuration (taken to be a 1/4° global model in 2011) and the increasing performance of the UK Research Councils' computer facility, we estimate an unstructured mesh multiscale approach, resolving process scales down to 1.5 km, would use a comparable share of the computer resource by 2021, the two-way nested multiscale approach by 2022, and a 1/72° global model by 2026. However, we also note that a 1/12° global model would not have a comparable computational cost to a 1° global model in 2017 until 2027. Hence, we conclude that for computationally expensive models (e.g. for oceanographic research or operational oceanography), resolving scales to ˜ 1.5 km would be routinely practical in about a decade given substantial effort on numerical and computational development. For complex Earth system models, this extends to about 2 decades, suggesting the focus here needs to be on improved process parameterisation to meet these challenges.
NASA Astrophysics Data System (ADS)
Fukazawa, K.; Walker, R. J.; Kimura, T.; Tsuchiya, F.; Murakami, G.; Kita, H.; Tao, C.; Murata, K. T.
2016-12-01
Planetary magnetospheres are very large, while phenomena within them occur on meso- and micro-scales. These scales range from 10s of planetary radii to kilometers. To understand dynamics in these multi-scale systems, numerical simulations have been performed by using the supercomputer systems. We have studied the magnetospheres of Earth, Jupiter and Saturn by using 3-dimensional magnetohydrodynamic (MHD) simulations for a long time, however, we have not obtained the phenomena near the limits of the MHD approximation. In particular, we have not studied meso-scale phenomena that can be addressed by using MHD.Recently we performed our MHD simulation of Earth's magnetosphere by using the K-computer which is the first 10PFlops supercomputer and obtained multi-scale flow vorticity for the both northward and southward IMF. Furthermore, we have access to supercomputer systems which have Xeon, SPARC64, and vector-type CPUs and can compare simulation results between the different systems. Finally, we have compared the results of our parameter survey of the magnetosphere with observations from the HISAKI spacecraft.We have encountered a number of difficulties effectively using the latest supercomputer systems. First the size of simulation output increases greatly. Now a simulation group produces over 1PB of output. Storage and analysis of this much data is difficult. The traditional way to analyze simulation results is to move the results to the investigator's home computer. This takes over three months using an end-to-end 10Gbps network. In reality, there are problems at some nodes such as firewalls that can increase the transfer time to over one year. Another issue is post-processing. It is hard to treat a few TB of simulation output due to the memory limitations of a post-processing computer. To overcome these issues, we have developed and introduced the parallel network storage, the highly efficient network protocol and the CUI based visualization tools.In this study, we will show the latest simulation results using the petascale supercomputer and problems from the use of these supercomputer systems.
NASA Astrophysics Data System (ADS)
Adhikari, Surendra; Ivins, Erik R.; Larour, Eric
2016-03-01
A classical Green's function approach for computing gravitationally consistent sea-level variations associated with mass redistribution on the earth's surface employed in contemporary sea-level models naturally suits the spectral methods for numerical evaluation. The capability of these methods to resolve high wave number features such as small glaciers is limited by the need for large numbers of pixels and high-degree (associated Legendre) series truncation. Incorporating a spectral model into (components of) earth system models that generally operate on a mesh system also requires repetitive forward and inverse transforms. In order to overcome these limitations, we present a method that functions efficiently on an unstructured mesh, thus capturing the physics operating at kilometer scale yet capable of simulating geophysical observables that are inherently of global scale with minimal computational cost. The goal of the current version of this model is to provide high-resolution solid-earth, gravitational, sea-level and rotational responses for earth system models operating in the domain of the earth's outer fluid envelope on timescales less than about 1 century when viscous effects can largely be ignored over most of the globe. The model has numerous important geophysical applications. For example, we compute time-varying computations of global geodetic and sea-level signatures associated with recent ice-sheet changes that are derived from space gravimetry observations. We also demonstrate the capability of our model to simultaneously resolve kilometer-scale sources of the earth's time-varying surface mass transport, derived from high-resolution modeling of polar ice sheets, and predict the corresponding local and global geodetic signatures.
A transient FETI methodology for large-scale parallel implicit computations in structural mechanics
NASA Technical Reports Server (NTRS)
Farhat, Charbel; Crivelli, Luis; Roux, Francois-Xavier
1992-01-01
Explicit codes are often used to simulate the nonlinear dynamics of large-scale structural systems, even for low frequency response, because the storage and CPU requirements entailed by the repeated factorizations traditionally found in implicit codes rapidly overwhelm the available computing resources. With the advent of parallel processing, this trend is accelerating because explicit schemes are also easier to parallelize than implicit ones. However, the time step restriction imposed by the Courant stability condition on all explicit schemes cannot yet -- and perhaps will never -- be offset by the speed of parallel hardware. Therefore, it is essential to develop efficient and robust alternatives to direct methods that are also amenable to massively parallel processing because implicit codes using unconditionally stable time-integration algorithms are computationally more efficient when simulating low-frequency dynamics. Here we present a domain decomposition method for implicit schemes that requires significantly less storage than factorization algorithms, that is several times faster than other popular direct and iterative methods, that can be easily implemented on both shared and local memory parallel processors, and that is both computationally and communication-wise efficient. The proposed transient domain decomposition method is an extension of the method of Finite Element Tearing and Interconnecting (FETI) developed by Farhat and Roux for the solution of static problems. Serial and parallel performance results on the CRAY Y-MP/8 and the iPSC-860/128 systems are reported and analyzed for realistic structural dynamics problems. These results establish the superiority of the FETI method over both the serial/parallel conjugate gradient algorithm with diagonal scaling and the serial/parallel direct method, and contrast the computational power of the iPSC-860/128 parallel processor with that of the CRAY Y-MP/8 system.
Processing of the WLCG monitoring data using NoSQL
NASA Astrophysics Data System (ADS)
Andreeva, J.; Beche, A.; Belov, S.; Dzhunov, I.; Kadochnikov, I.; Karavakis, E.; Saiz, P.; Schovancova, J.; Tuckett, D.
2014-06-01
The Worldwide LHC Computing Grid (WLCG) today includes more than 150 computing centres where more than 2 million jobs are being executed daily and petabytes of data are transferred between sites. Monitoring the computing activities of the LHC experiments, over such a huge heterogeneous infrastructure, is extremely demanding in terms of computation, performance and reliability. Furthermore, the generated monitoring flow is constantly increasing, which represents another challenge for the monitoring systems. While existing solutions are traditionally based on Oracle for data storage and processing, recent developments evaluate NoSQL for processing large-scale monitoring datasets. NoSQL databases are getting increasingly popular for processing datasets at the terabyte and petabyte scale using commodity hardware. In this contribution, the integration of NoSQL data processing in the Experiment Dashboard framework is described along with first experiences of using this technology for monitoring the LHC computing activities.
Program Manual for Producing Weight Scaling Conversion Tables
Gary L. Tyre; Clyde A. Fasick; Frank M. Riley; Frank O. Lege
1973-01-01
Three computer programs are presented which can be applied by individual firms to establish a weight-scaling information system, The first generates volume estimates from truckload weights for any combination of veneer, sawmill, and pulpwood volumes. The second provides quality-control information by tabulating differences between estimated volumes and observed check-...
Verifiable fault tolerance in measurement-based quantum computation
NASA Astrophysics Data System (ADS)
Fujii, Keisuke; Hayashi, Masahito
2017-09-01
Quantum systems, in general, cannot be simulated efficiently by a classical computer, and hence are useful for solving certain mathematical problems and simulating quantum many-body systems. This also implies, unfortunately, that verification of the output of the quantum systems is not so trivial, since predicting the output is exponentially hard. As another problem, the quantum system is very delicate for noise and thus needs an error correction. Here, we propose a framework for verification of the output of fault-tolerant quantum computation in a measurement-based model. In contrast to existing analyses on fault tolerance, we do not assume any noise model on the resource state, but an arbitrary resource state is tested by using only single-qubit measurements to verify whether or not the output of measurement-based quantum computation on it is correct. Verifiability is equipped by a constant time repetition of the original measurement-based quantum computation in appropriate measurement bases. Since full characterization of quantum noise is exponentially hard for large-scale quantum computing systems, our framework provides an efficient way to practically verify the experimental quantum error correction.
Development of the trickle roof cooling and heating system: Experimental plan
NASA Astrophysics Data System (ADS)
Haves, P.; Jankovic, T.; Doderer, E.
1982-07-01
A passive system applicable both to retrofit and new construction was developed. This system (the trickle roof system) dissipates heat from a thin film of water flowing over the roof. A small scale trickle roof system dissipator was tested at Trinity University under a range of ambient conditions and operating configurations. The results suggest that trickle roof systems should have comparable performance to roof pond systems. Provided is a review of the trickle roof system concept, several possible configurations, and the benefits the systems can provide. Test module experiments And results are presented in detail. The requirements for full scale testing are discussed and a plan is outlined using the two identical residential scale passive test facility buildings at Trinity University, San Antonio, Texas. Full scale experimental results would be used to validate computer algorithms, provide system optimization, and produce a nationwide performance assessment and design guidelines. This would provide industry with the information necessary to determine the commerical potential of the trickle roof system.
NASA Astrophysics Data System (ADS)
Hua, H.; Owen, S. E.; Yun, S. H.; Agram, P. S.; Manipon, G.; Starch, M.; Sacco, G. F.; Bue, B. D.; Dang, L. B.; Linick, J. P.; Malarout, N.; Rosen, P. A.; Fielding, E. J.; Lundgren, P.; Moore, A. W.; Liu, Z.; Farr, T.; Webb, F.; Simons, M.; Gurrola, E. M.
2017-12-01
With the increased availability of open SAR data (e.g. Sentinel-1 A/B), new challenges are being faced with processing and analyzing the voluminous SAR datasets to make geodetic measurements. Upcoming SAR missions such as NISAR are expected to generate close to 100TB per day. The Advanced Rapid Imaging and Analysis (ARIA) project can now generate geocoded unwrapped phase and coherence products from Sentinel-1 TOPS mode data in an automated fashion, using the ISCE software. This capability is currently being exercised on various study sites across the United States and around the globe, including Hawaii, Central California, Iceland and South America. The automated and large-scale SAR data processing and analysis capabilities use cloud computing techniques to speed the computations and provide scalable processing power and storage. Aspects such as how to processing these voluminous SLCs and interferograms at global scales, keeping up with the large daily SAR data volumes, and how to handle the voluminous data rates are being explored. Scene-partitioning approaches in the processing pipeline help in handling global-scale processing up to unwrapped interferograms with stitching done at a late stage. We have built an advanced science data system with rapid search functions to enable access to the derived data products. Rapid image processing of Sentinel-1 data to interferograms and time series is already being applied to natural hazards including earthquakes, floods, volcanic eruptions, and land subsidence due to fluid withdrawal. We will present the status of the ARIA science data system for generating science-ready data products and challenges that arise from being able to process SAR datasets to derived time series data products at large scales. For example, how do we perform large-scale data quality screening on interferograms? What approaches can be used to minimize compute, storage, and data movement costs for time series analysis in the cloud? We will also present some of our findings from applying machine learning and data analytics on the processed SAR data streams. We will also present lessons learned on how to ease the SAR community onto interfacing with these cloud-based SAR science data systems.
Penas, David R; González, Patricia; Egea, Jose A; Doallo, Ramón; Banga, Julio R
2017-01-21
The development of large-scale kinetic models is one of the current key issues in computational systems biology and bioinformatics. Here we consider the problem of parameter estimation in nonlinear dynamic models. Global optimization methods can be used to solve this type of problems but the associated computational cost is very large. Moreover, many of these methods need the tuning of a number of adjustable search parameters, requiring a number of initial exploratory runs and therefore further increasing the computation times. Here we present a novel parallel method, self-adaptive cooperative enhanced scatter search (saCeSS), to accelerate the solution of this class of problems. The method is based on the scatter search optimization metaheuristic and incorporates several key new mechanisms: (i) asynchronous cooperation between parallel processes, (ii) coarse and fine-grained parallelism, and (iii) self-tuning strategies. The performance and robustness of saCeSS is illustrated by solving a set of challenging parameter estimation problems, including medium and large-scale kinetic models of the bacterium E. coli, bakerés yeast S. cerevisiae, the vinegar fly D. melanogaster, Chinese Hamster Ovary cells, and a generic signal transduction network. The results consistently show that saCeSS is a robust and efficient method, allowing very significant reduction of computation times with respect to several previous state of the art methods (from days to minutes, in several cases) even when only a small number of processors is used. The new parallel cooperative method presented here allows the solution of medium and large scale parameter estimation problems in reasonable computation times and with small hardware requirements. Further, the method includes self-tuning mechanisms which facilitate its use by non-experts. We believe that this new method can play a key role in the development of large-scale and even whole-cell dynamic models.
On decentralized control of large-scale systems
NASA Technical Reports Server (NTRS)
Siljak, D. D.
1978-01-01
A scheme is presented for decentralized control of large-scale linear systems which are composed of a number of interconnected subsystems. By ignoring the interconnections, local feedback controls are chosen to optimize each decoupled subsystem. Conditions are provided to establish compatibility of the individual local controllers and achieve stability of the overall system. Besides computational simplifications, the scheme is attractive because of its structural features and the fact that it produces a robust decentralized regulator for large dynamic systems, which can tolerate a wide range of nonlinearities and perturbations among the subsystems.
Cork, Randy D.; Detmer, William M.; Friedman, Charles P.
1998-01-01
This paper describes details of four scales of a questionnaire—“Computers in Medical Care”—measuring attributes of computer use, self-reported computer knowledge, computer feature demand, and computer optimism of academic physicians. The reliability (i.e., precision, or degree to which the scale's result is reproducible) and validity (i.e., accuracy, or degree to which the scale actually measures what it is supposed to measure) of each scale were examined by analysis of the responses of 771 full-time academic physicians across four departments at five academic medical centers in the United States. The objectives of this paper were to define the psychometric properties of the scales as the basis for a future demonstration study and, pending the results of further validity studies, to provide the questionnaire and scales to the medical informatics community as a tool for measuring the attitudes of health care providers. Methodology: The dimensionality of each scale and degree of association of each item with the attribute of interest were determined by principal components factor analysis with othogonal varimax rotation. Weakly associated items (factor loading <.40) were deleted. The reliability of each resultant scale was computed using Cronbach's alpha coefficient. Content validity was addressed during scale construction; construct validity was examined through factor analysis and by correlational analyses. Results: Attributes of computer use, computer knowledge, and computer optimism were unidimensional, with the corresponding scales having reliabilities of.79,.91, and.86, respectively. The computer-feature demand attribute differentiated into two dimensions: the first reflecting demand for high-level functionality with reliability of.81 and the second demand for usability with reliability of.69. There were significant positive correlations between computer use, computer knowledge, and computer optimism scale scores and respondents' hands-on computer use, computer training, and self-reported computer sophistication. In addition, items posited on the computer knowledge scale to be more difficult generated significantly lower scores. Conclusion: The four scales of the questionnaire appear to measure with adequate reliability five attributes of academic physicians' attitudes toward computers in medical care: computer use, self-reported computer knowledge, demand for computer functionality, demand for computer usability, and computer optimism. Results of initial validity studies are positive, but further validation of the scales is needed. The URL of a downloadable HTML copy of the questionnaire is provided. PMID:9524349
Lightweight computational steering of very large scale molecular dynamics simulations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Beazley, D.M.; Lomdahl, P.S.
1996-09-01
We present a computational steering approach for controlling, analyzing, and visualizing very large scale molecular dynamics simulations involving tens to hundreds of millions of atoms. Our approach relies on extensible scripting languages and an easy to use tool for building extensions and modules. The system is extremely easy to modify, works with existing C code, is memory efficient, and can be used from inexpensive workstations and networks. We demonstrate how we have used this system to manipulate data from production MD simulations involving as many as 104 million atoms running on the CM-5 and Cray T3D. We also show howmore » this approach can be used to build systems that integrate common scripting languages (including Tcl/Tk, Perl, and Python), simulation code, user extensions, and commercial data analysis packages.« less
Drawert, Brian; Trogdon, Michael; Toor, Salman; Petzold, Linda; Hellander, Andreas
2016-01-01
Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools and a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gallarno, George; Rogers, James H; Maxwell, Don E
The high computational capability of graphics processing units (GPUs) is enabling and driving the scientific discovery process at large-scale. The world s second fastest supercomputer for open science, Titan, has more than 18,000 GPUs that computational scientists use to perform scientific simu- lations and data analysis. Understanding of GPU reliability characteristics, however, is still in its nascent stage since GPUs have only recently been deployed at large-scale. This paper presents a detailed study of GPU errors and their impact on system operations and applications, describing experiences with the 18,688 GPUs on the Titan supercom- puter as well as lessons learnedmore » in the process of efficient operation of GPUs at scale. These experiences are helpful to HPC sites which already have large-scale GPU clusters or plan to deploy GPUs in the future.« less
Rolex: Resilience-oriented language extensions for extreme-scale systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lucas, Robert F.; Hukerikar, Saurabh
Future exascale high-performance computing (HPC) systems will be constructed from VLSI devices that will be less reliable than those used today, and faults will become the norm, not the exception. This will pose significant problems for system designers and programmers, who for half-a-century have enjoyed an execution model that assumed correct behavior by the underlying computing system. The mean time to failure (MTTF) of the system scales inversely to the number of components in the system and therefore faults and resultant system level failures will increase, as systems scale in terms of the number of processor cores and memory modulesmore » used. However every error detected need not cause catastrophic failure. Many HPC applications are inherently fault resilient. Yet it is the application programmers who have this knowledge but lack mechanisms to convey it to the system. In this paper, we present new Resilience Oriented Language Extensions (Rolex) which facilitate the incorporation of fault resilience as an intrinsic property of the application code. We describe the syntax and semantics of the language extensions as well as the implementation of the supporting compiler infrastructure and runtime system. Furthermore, our experiments show that an approach that leverages the programmer's insight to reason about the context and significance of faults to the application outcome significantly improves the probability that an application runs to a successful conclusion.« less
Rolex: Resilience-oriented language extensions for extreme-scale systems
Lucas, Robert F.; Hukerikar, Saurabh
2016-05-26
Future exascale high-performance computing (HPC) systems will be constructed from VLSI devices that will be less reliable than those used today, and faults will become the norm, not the exception. This will pose significant problems for system designers and programmers, who for half-a-century have enjoyed an execution model that assumed correct behavior by the underlying computing system. The mean time to failure (MTTF) of the system scales inversely to the number of components in the system and therefore faults and resultant system level failures will increase, as systems scale in terms of the number of processor cores and memory modulesmore » used. However every error detected need not cause catastrophic failure. Many HPC applications are inherently fault resilient. Yet it is the application programmers who have this knowledge but lack mechanisms to convey it to the system. In this paper, we present new Resilience Oriented Language Extensions (Rolex) which facilitate the incorporation of fault resilience as an intrinsic property of the application code. We describe the syntax and semantics of the language extensions as well as the implementation of the supporting compiler infrastructure and runtime system. Furthermore, our experiments show that an approach that leverages the programmer's insight to reason about the context and significance of faults to the application outcome significantly improves the probability that an application runs to a successful conclusion.« less
NASA's computer science research program
NASA Technical Reports Server (NTRS)
Larsen, R. L.
1983-01-01
Following a major assessment of NASA's computing technology needs, a new program of computer science research has been initiated by the Agency. The program includes work in concurrent processing, management of large scale scientific databases, software engineering, reliable computing, and artificial intelligence. The program is driven by applications requirements in computational fluid dynamics, image processing, sensor data management, real-time mission control and autonomous systems. It consists of university research, in-house NASA research, and NASA's Research Institute for Advanced Computer Science (RIACS) and Institute for Computer Applications in Science and Engineering (ICASE). The overall goal is to provide the technical foundation within NASA to exploit advancing computing technology in aerospace applications.
NASA Astrophysics Data System (ADS)
To, Albert C.; Liu, Wing Kam; Olson, Gregory B.; Belytschko, Ted; Chen, Wei; Shephard, Mark S.; Chung, Yip-Wah; Ghanem, Roger; Voorhees, Peter W.; Seidman, David N.; Wolverton, Chris; Chen, J. S.; Moran, Brian; Freeman, Arthur J.; Tian, Rong; Luo, Xiaojuan; Lautenschlager, Eric; Challoner, A. Dorian
2008-09-01
Microsystems have become an integral part of our lives and can be found in homeland security, medical science, aerospace applications and beyond. Many critical microsystem applications are in harsh environments, in which long-term reliability needs to be guaranteed and repair is not feasible. For example, gyroscope microsystems on satellites need to function for over 20 years under severe radiation, thermal cycling, and shock loading. Hence a predictive-science-based, verified and validated computational models and algorithms to predict the performance and materials integrity of microsystems in these situations is needed. Confidence in these predictions is improved by quantifying uncertainties and approximation errors. With no full system testing and limited sub-system testings, petascale computing is certainly necessary to span both time and space scales and to reduce the uncertainty in the prediction of long-term reliability. This paper presents the necessary steps to develop predictive-science-based multiscale modeling and simulation system. The development of this system will be focused on the prediction of the long-term performance of a gyroscope microsystem. The environmental effects to be considered include radiation, thermo-mechanical cycling and shock. Since there will be many material performance issues, attention is restricted to creep resulting from thermal aging and radiation-enhanced mass diffusion, material instability due to radiation and thermo-mechanical cycling and damage and fracture due to shock. To meet these challenges, we aim to develop an integrated multiscale software analysis system that spans the length scales from the atomistic scale to the scale of the device. The proposed software system will include molecular mechanics, phase field evolution, micromechanics and continuum mechanics software, and the state-of-the-art model identification strategies where atomistic properties are calibrated by quantum calculations. We aim to predict the long-term (in excess of 20 years) integrity of the resonator, electrode base, multilayer metallic bonding pads, and vacuum seals in a prescribed mission. Although multiscale simulations are efficient in the sense that they focus the most computationally intensive models and methods on only the portions of the space time domain needed, the execution of the multiscale simulations associated with evaluating materials and device integrity for aerospace microsystems will require the application of petascale computing. A component-based software strategy will be used in the development of our massively parallel multiscale simulation system. This approach will allow us to take full advantage of existing single scale modeling components. An extensive, pervasive thrust in the software system development is verification, validation, and uncertainty quantification (UQ). Each component and the integrated software system need to be carefully verified. An UQ methodology that determines the quality of predictive information available from experimental measurements and packages the information in a form suitable for UQ at various scales needs to be developed. Experiments to validate the model at the nanoscale, microscale, and macroscale are proposed. The development of a petascale predictive-science-based multiscale modeling and simulation system will advance the field of predictive multiscale science so that it can be used to reliably analyze problems of unprecedented complexity, where limited testing resources can be adequately replaced by petascale computational power, advanced verification, validation, and UQ methodologies.
Mathematical and Computational Modeling in Complex Biological Systems
Li, Wenyang; Zhu, Xiaoliang
2017-01-01
The biological process and molecular functions involved in the cancer progression remain difficult to understand for biologists and clinical doctors. Recent developments in high-throughput technologies urge the systems biology to achieve more precise models for complex diseases. Computational and mathematical models are gradually being used to help us understand the omics data produced by high-throughput experimental techniques. The use of computational models in systems biology allows us to explore the pathogenesis of complex diseases, improve our understanding of the latent molecular mechanisms, and promote treatment strategy optimization and new drug discovery. Currently, it is urgent to bridge the gap between the developments of high-throughput technologies and systemic modeling of the biological process in cancer research. In this review, we firstly studied several typical mathematical modeling approaches of biological systems in different scales and deeply analyzed their characteristics, advantages, applications, and limitations. Next, three potential research directions in systems modeling were summarized. To conclude, this review provides an update of important solutions using computational modeling approaches in systems biology. PMID:28386558
Mathematical and Computational Modeling in Complex Biological Systems.
Ji, Zhiwei; Yan, Ke; Li, Wenyang; Hu, Haigen; Zhu, Xiaoliang
2017-01-01
The biological process and molecular functions involved in the cancer progression remain difficult to understand for biologists and clinical doctors. Recent developments in high-throughput technologies urge the systems biology to achieve more precise models for complex diseases. Computational and mathematical models are gradually being used to help us understand the omics data produced by high-throughput experimental techniques. The use of computational models in systems biology allows us to explore the pathogenesis of complex diseases, improve our understanding of the latent molecular mechanisms, and promote treatment strategy optimization and new drug discovery. Currently, it is urgent to bridge the gap between the developments of high-throughput technologies and systemic modeling of the biological process in cancer research. In this review, we firstly studied several typical mathematical modeling approaches of biological systems in different scales and deeply analyzed their characteristics, advantages, applications, and limitations. Next, three potential research directions in systems modeling were summarized. To conclude, this review provides an update of important solutions using computational modeling approaches in systems biology.
Accurate complex scaling of three dimensional numerical potentials
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cerioni, Alessandro; Genovese, Luigi; Duchemin, Ivan
2013-05-28
The complex scaling method, which consists in continuing spatial coordinates into the complex plane, is a well-established method that allows to compute resonant eigenfunctions of the time-independent Schroedinger operator. Whenever it is desirable to apply the complex scaling to investigate resonances in physical systems defined on numerical discrete grids, the most direct approach relies on the application of a similarity transformation to the original, unscaled Hamiltonian. We show that such an approach can be conveniently implemented in the Daubechies wavelet basis set, featuring a very promising level of generality, high accuracy, and no need for artificial convergence parameters. Complex scalingmore » of three dimensional numerical potentials can be efficiently and accurately performed. By carrying out an illustrative resonant state computation in the case of a one-dimensional model potential, we then show that our wavelet-based approach may disclose new exciting opportunities in the field of computational non-Hermitian quantum mechanics.« less
Multiple shooting shadowing for sensitivity analysis of chaotic dynamical systems
NASA Astrophysics Data System (ADS)
Blonigan, Patrick J.; Wang, Qiqi
2018-02-01
Sensitivity analysis methods are important tools for research and design with simulations. Many important simulations exhibit chaotic dynamics, including scale-resolving turbulent fluid flow simulations. Unfortunately, conventional sensitivity analysis methods are unable to compute useful gradient information for long-time-averaged quantities in chaotic dynamical systems. Sensitivity analysis with least squares shadowing (LSS) can compute useful gradient information for a number of chaotic systems, including simulations of chaotic vortex shedding and homogeneous isotropic turbulence. However, this gradient information comes at a very high computational cost. This paper presents multiple shooting shadowing (MSS), a more computationally efficient shadowing approach than the original LSS approach. Through an analysis of the convergence rate of MSS, it is shown that MSS can have lower memory usage and run time than LSS.
Job Management and Task Bundling
NASA Astrophysics Data System (ADS)
Berkowitz, Evan; Jansen, Gustav R.; McElvain, Kenneth; Walker-Loud, André
2018-03-01
High Performance Computing is often performed on scarce and shared computing resources. To ensure computers are used to their full capacity, administrators often incentivize large workloads that are not possible on smaller systems. Measurements in Lattice QCD frequently do not scale to machine-size workloads. By bundling tasks together we can create large jobs suitable for gigantic partitions. We discuss METAQ and mpi_jm, software developed to dynamically group computational tasks together, that can intelligently backfill to consume idle time without substantial changes to users' current workflows or executables.
The Next Frontier in Computing
Sarrao, John
2018-06-13
Exascale computing refers to computing systems capable of at least one exaflop or a billion calculations per second (1018). That is 50 times faster than the most powerful supercomputers being used today and represents a thousand-fold increase over the first petascale computer that came into operation in 2008. How we use these large-scale simulation resources is the key to solving some of todayâs most pressing problems, including clean energy production, nuclear reactor lifetime extension and nuclear stockpile aging.
7th Annual Systems Biology Symposium: Systems Biology and Engineering
DOE Office of Scientific and Technical Information (OSTI.GOV)
Galitski, Timothy P.
2008-04-01
Systems biology recognizes the complex multi-scale organization of biological systems, from molecules to ecosystems. The International Symposium on Systems Biology has been hosted by the Institute for Systems Biology in Seattle, Washington, since 2002. The annual two-day event gathers the most influential researchers transforming biology into an integrative discipline investingating complex systems. Engineering and application of new technology is a central element of systems biology. Genome-scale, or very small-scale, biological questions drive the enigneering of new technologies, which enable new modes of experimentation and computational analysis, leading to new biological insights and questions. Concepts and analytical methods in engineering aremore » now finding direct applications in biology. Therefore, the 2008 Symposium, funded in partnership with the Department of Energy, featured global leaders in "Systems Biology and Engineering."« less
Banerjee, Amartya S; Lin, Lin; Suryanarayana, Phanish; Yang, Chao; Pask, John E
2018-06-12
We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (>1,000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham Hamiltonian on every self-consistent field (SCF) iteration, we employ a two-level Chebyshev polynomial filter based complementary subspace strategy to (1) compute a set of vectors that span the occupied subspace of the Hamiltonian; (2) reduce subspace diagonalization to just partially occupied states; and (3) obtain those states in an efficient, scalable manner via an inner Chebyshev filter iteration. By reducing the necessary computation to just partially occupied states and obtaining these through an inner Chebyshev iteration, our approach reduces the cost of large metallic calculations significantly, while eliminating subspace diagonalization for insulating systems altogether. We describe the implementation of the method within the framework of the discontinuous Galerkin (DG) electronic structure method and show that this results in a computational scheme that can effectively tackle bulk and nano systems containing tens of thousands of electrons, with chemical accuracy, within a few minutes or less of wall clock time per SCF iteration on large-scale computing platforms. We anticipate that our method will be instrumental in pushing the envelope of large-scale ab initio molecular dynamics. As a demonstration of this, we simulate a bulk silicon system containing 8,000 atoms at finite temperature, and obtain an average SCF step wall time of 51 s on 34,560 processors; thus allowing us to carry out 1.0 ps of ab initio molecular dynamics in approximately 28 h (of wall time).
Scaling Up and Zooming In: Big Data and Personalization in Language Learning
ERIC Educational Resources Information Center
Godwin-Jones, Robert
2017-01-01
From its earliest days, practitioners of computer-assisted language learning (CALL) have collected data from computer-mediated learning environments. Indeed, that has been a central aspect of the field from the beginning. Usage logs provided valuable insights into how systems were used and how effective they were for language learning. That…
Distributed and grid computing projects with research focus in human health.
Diomidous, Marianna; Zikos, Dimitrios
2012-01-01
Distributed systems and grid computing systems are used to connect several computers to obtain a higher level of performance, in order to solve a problem. During the last decade, projects use the World Wide Web to aggregate individuals' CPU power for research purposes. This paper presents the existing active large scale distributed and grid computing projects with research focus in human health. There have been found and presented 11 active projects with more than 2000 Processing Units (PUs) each. The research focus for most of them is molecular biology and, specifically on understanding or predicting protein structure through simulation, comparing proteins, genomic analysis for disease provoking genes and drug design. Though not in all cases explicitly stated, common target diseases include research to find cure against HIV, dengue, Duchene dystrophy, Parkinson's disease, various types of cancer and influenza. Other diseases include malaria, anthrax, Alzheimer's disease. The need for national initiatives and European Collaboration for larger scale projects is stressed, to raise the awareness of citizens to participate in order to create a culture of internet volunteering altruism.
Jungreuthmayer, Christian; Ruckerbauer, David E.; Gerstl, Matthias P.; Hanscho, Michael; Zanghellini, Jürgen
2015-01-01
Despite the significant progress made in recent years, the computation of the complete set of elementary flux modes of large or even genome-scale metabolic networks is still impossible. We introduce a novel approach to speed up the calculation of elementary flux modes by including transcriptional regulatory information into the analysis of metabolic networks. Taking into account gene regulation dramatically reduces the solution space and allows the presented algorithm to constantly eliminate biologically infeasible modes at an early stage of the computation procedure. Thereby, computational costs, such as runtime, memory usage, and disk space, are extremely reduced. Moreover, we show that the application of transcriptional rules identifies non-trivial system-wide effects on metabolism. Using the presented algorithm pushes the size of metabolic networks that can be studied by elementary flux modes to new and much higher limits without the loss of predictive quality. This makes unbiased, system-wide predictions in large scale metabolic networks possible without resorting to any optimization principle. PMID:26091045
High-Throughput Computing on High-Performance Platforms: A Case Study
DOE Office of Scientific and Technical Information (OSTI.GOV)
Oleynik, D; Panitkin, S; Matteo, Turilli
The computing systems used by LHC experiments has historically consisted of the federation of hundreds to thousands of distributed resources, ranging from small to mid-size resource. In spite of the impressive scale of the existing distributed computing solutions, the federation of small to mid-size resources will be insufficient to meet projected future demands. This paper is a case study of how the ATLAS experiment has embraced Titan -- a DOE leadership facility in conjunction with traditional distributed high- throughput computing to reach sustained production scales of approximately 52M core-hours a years. The three main contributions of this paper are: (i)more » a critical evaluation of design and operational considerations to support the sustained, scalable and production usage of Titan; (ii) a preliminary characterization of a next generation executor for PanDA to support new workloads and advanced execution modes; and (iii) early lessons for how current and future experimental and observational systems can be integrated with production supercomputers and other platforms in a general and extensible manner.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Greenough, Jeffrey A.; de Supinski, Bronis R.; Yates, Robert K.
2005-04-25
We describe the performance of the block-structured Adaptive Mesh Refinement (AMR) code Raptor on the 32k node IBM BlueGene/L computer. This machine represents a significant step forward towards petascale computing. As such, it presents Raptor with many challenges for utilizing the hardware efficiently. In terms of performance, Raptor shows excellent weak and strong scaling when running in single level mode (no adaptivity). Hardware performance monitors show Raptor achieves an aggregate performance of 3:0 Tflops in the main integration kernel on the 32k system. Results from preliminary AMR runs on a prototype astrophysical problem demonstrate the efficiency of the current softwaremore » when running at large scale. The BG/L system is enabling a physics problem to be considered that represents a factor of 64 increase in overall size compared to the largest ones of this type computed to date. Finally, we provide a description of the development work currently underway to address our inefficiencies.« less
NASA Astrophysics Data System (ADS)
Liu, Jiping; Kang, Xiaochen; Dong, Chun; Xu, Shenghua
2017-12-01
Surface area estimation is a widely used tool for resource evaluation in the physical world. When processing large scale spatial data, the input/output (I/O) can easily become the bottleneck in parallelizing the algorithm due to the limited physical memory resources and the very slow disk transfer rate. In this paper, we proposed a stream tilling approach to surface area estimation that first decomposed a spatial data set into tiles with topological expansions. With these tiles, the one-to-one mapping relationship between the input and the computing process was broken. Then, we realized a streaming framework towards the scheduling of the I/O processes and computing units. Herein, each computing unit encapsulated a same copy of the estimation algorithm, and multiple asynchronous computing units could work individually in parallel. Finally, the performed experiment demonstrated that our stream tilling estimation can efficiently alleviate the heavy pressures from the I/O-bound work, and the measured speedup after being optimized have greatly outperformed the directly parallel versions in shared memory systems with multi-core processors.
Reduced-Order Biogeochemical Flux Model for High-Resolution Multi-Scale Biophysical Simulations
NASA Astrophysics Data System (ADS)
Smith, Katherine; Hamlington, Peter; Pinardi, Nadia; Zavatarelli, Marco
2017-04-01
Biogeochemical tracers and their interactions with upper ocean physical processes such as submesoscale circulations and small-scale turbulence are critical for understanding the role of the ocean in the global carbon cycle. These interactions can cause small-scale spatial and temporal heterogeneity in tracer distributions that can, in turn, greatly affect carbon exchange rates between the atmosphere and interior ocean. For this reason, it is important to take into account small-scale biophysical interactions when modeling the global carbon cycle. However, explicitly resolving these interactions in an earth system model (ESM) is currently infeasible due to the enormous associated computational cost. As a result, understanding and subsequently parameterizing how these small-scale heterogeneous distributions develop and how they relate to larger resolved scales is critical for obtaining improved predictions of carbon exchange rates in ESMs. In order to address this need, we have developed the reduced-order, 17 state variable Biogeochemical Flux Model (BFM-17) that follows the chemical functional group approach, which allows for non-Redfield stoichiometric ratios and the exchange of matter through units of carbon, nitrate, and phosphate. This model captures the behavior of open-ocean biogeochemical systems without substantially increasing computational cost, thus allowing the model to be combined with computationally-intensive, fully three-dimensional, non-hydrostatic large eddy simulations (LES). In this talk, we couple BFM-17 with the Princeton Ocean Model and show good agreement between predicted monthly-averaged results and Bermuda testbed area field data (including the Bermuda-Atlantic Time-series Study and Bermuda Testbed Mooring). Through these tests, we demonstrate the capability of BFM-17 to accurately model open-ocean biochemistry. Additionally, we discuss the use of BFM-17 within a multi-scale LES framework and outline how this will further our understanding of turbulent biophysical interactions in the upper ocean.
Reduced-Order Biogeochemical Flux Model for High-Resolution Multi-Scale Biophysical Simulations
NASA Astrophysics Data System (ADS)
Smith, K.; Hamlington, P.; Pinardi, N.; Zavatarelli, M.; Milliff, R. F.
2016-12-01
Biogeochemical tracers and their interactions with upper ocean physical processes such as submesoscale circulations and small-scale turbulence are critical for understanding the role of the ocean in the global carbon cycle. These interactions can cause small-scale spatial and temporal heterogeneity in tracer distributions which can, in turn, greatly affect carbon exchange rates between the atmosphere and interior ocean. For this reason, it is important to take into account small-scale biophysical interactions when modeling the global carbon cycle. However, explicitly resolving these interactions in an earth system model (ESM) is currently infeasible due to the enormous associated computational cost. As a result, understanding and subsequently parametrizing how these small-scale heterogeneous distributions develop and how they relate to larger resolved scales is critical for obtaining improved predictions of carbon exchange rates in ESMs. In order to address this need, we have developed the reduced-order, 17 state variable Biogeochemical Flux Model (BFM-17). This model captures the behavior of open-ocean biogeochemical systems without substantially increasing computational cost, thus allowing the model to be combined with computationally-intensive, fully three-dimensional, non-hydrostatic large eddy simulations (LES). In this talk, we couple BFM-17 with the Princeton Ocean Model and show good agreement between predicted monthly-averaged results and Bermuda testbed area field data (including the Bermuda-Atlantic Time Series and Bermuda Testbed Mooring). Through these tests, we demonstrate the capability of BFM-17 to accurately model open-ocean biochemistry. Additionally, we discuss the use of BFM-17 within a multi-scale LES framework and outline how this will further our understanding of turbulent biophysical interactions in the upper ocean.
Argonne simulation framework for intelligent transportation systems
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ewing, T.; Doss, E.; Hanebutte, U.
1996-04-01
A simulation framework has been developed which defines a high-level architecture for a large-scale, comprehensive, scalable simulation of an Intelligent Transportation System (ITS). The simulator is designed to run on parallel computers and distributed (networked) computer systems; however, a version for a stand alone workstation is also available. The ITS simulator includes an Expert Driver Model (EDM) of instrumented ``smart`` vehicles with in-vehicle navigation units. The EDM is capable of performing optimal route planning and communicating with Traffic Management Centers (TMC). A dynamic road map data base is sued for optimum route planning, where the data is updated periodically tomore » reflect any changes in road or weather conditions. The TMC has probe vehicle tracking capabilities (display position and attributes of instrumented vehicles), and can provide 2-way interaction with traffic to provide advisories and link times. Both the in-vehicle navigation module and the TMC feature detailed graphical user interfaces that includes human-factors studies to support safety and operational research. Realistic modeling of variations of the posted driving speed are based on human factor studies that take into consideration weather, road conditions, driver`s personality and behavior and vehicle type. The simulator has been developed on a distributed system of networked UNIX computers, but is designed to run on ANL`s IBM SP-X parallel computer system for large scale problems. A novel feature of the developed simulator is that vehicles will be represented by autonomous computer processes, each with a behavior model which performs independent route selection and reacts to external traffic events much like real vehicles. Vehicle processes interact with each other and with ITS components by exchanging messages. With this approach, one will be able to take advantage of emerging massively parallel processor (MPP) systems.« 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.
NASA Astrophysics Data System (ADS)
Imamura, Seigo; Ono, Kenji; Yokokawa, Mitsuo
2016-07-01
Ensemble computing, which is an instance of capacity computing, is an effective computing scenario for exascale parallel supercomputers. In ensemble computing, there are multiple linear systems associated with a common coefficient matrix. We improve the performance of iterative solvers for multiple vectors by solving them at the same time, that is, by solving for the product of the matrices. We implemented several iterative methods and compared their performance. The maximum performance on Sparc VIIIfx was 7.6 times higher than that of a naïve implementation. Finally, to deal with the different convergence processes of linear systems, we introduced a control method to eliminate the calculation of already converged vectors.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Estep, Donald
2015-11-30
This project addressed the challenge of predictive computational analysis of strongly coupled, highly nonlinear multiphysics systems characterized by multiple physical phenomena that span a large range of length- and time-scales. Specifically, the project was focused on computational estimation of numerical error and sensitivity analysis of computational solutions with respect to variations in parameters and data. In addition, the project investigated the use of accurate computational estimates to guide efficient adaptive discretization. The project developed, analyzed and evaluated new variational adjoint-based techniques for integration, model, and data error estimation/control and sensitivity analysis, in evolutionary multiphysics multiscale simulations.
Coupling lattice Boltzmann and continuum equations for flow and reactive transport in porous media.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Coon, Ethan; Porter, Mark L.; Kang, Qinjun
2012-06-18
In spatially and temporally localized instances, capturing sub-reservoir scale information is necessary. Capturing sub-reservoir scale information everywhere is neither necessary, nor computationally possible. The lattice Boltzmann Method for solving pore-scale systems. At the pore-scale, LBM provides an extremely scalable, efficient way of solving Navier-Stokes equations on complex geometries. Coupling pore-scale and continuum scale systems via domain decomposition. By leveraging the interpolations implied by pore-scale and continuum scale discretizations, overlapping Schwartz domain decomposition is used to ensure continuity of pressure and flux. This approach is demonstrated on a fractured medium, in which Navier-Stokes equations are solved within the fracture while Darcy'smore » equation is solved away from the fracture Coupling reactive transport to pore-scale flow simulators allows hybrid approaches to be extended to solve multi-scale reactive transport.« less
Computer graphics for management: An abstract of capabilities and applications of the EIS system
NASA Technical Reports Server (NTRS)
Solem, B. J.
1975-01-01
The Executive Information Services (EIS) system, developed as a computer-based, time-sharing tool for making and implementing management decisions, and including computer graphics capabilities, was described. The following resources are available through the EIS languages: centralized corporate/gov't data base, customized and working data bases, report writing, general computational capability, specialized routines, modeling/programming capability, and graphics. Nearly all EIS graphs can be created by a single, on-line instruction. A large number of options are available, such as selection of graphic form, line control, shading, placement on the page, multiple images on a page, control of scaling and labeling, plotting of cum data sets, optical grid lines, and stack charts. The following are examples of areas in which the EIS system may be used: research, estimating services, planning, budgeting, and performance measurement, national computer hook-up negotiations.
Cross-indexing of binary SIFT codes for large-scale image search.
Liu, Zhen; Li, Houqiang; Zhang, Liyan; Zhou, Wengang; Tian, Qi
2014-05-01
In recent years, there has been growing interest in mapping visual features into compact binary codes for applications on large-scale image collections. Encoding high-dimensional data as compact binary codes reduces the memory cost for storage. Besides, it benefits the computational efficiency since the computation of similarity can be efficiently measured by Hamming distance. In this paper, we propose a novel flexible scale invariant feature transform (SIFT) binarization (FSB) algorithm for large-scale image search. The FSB algorithm explores the magnitude patterns of SIFT descriptor. It is unsupervised and the generated binary codes are demonstrated to be dispreserving. Besides, we propose a new searching strategy to find target features based on the cross-indexing in the binary SIFT space and original SIFT space. We evaluate our approach on two publicly released data sets. The experiments on large-scale partial duplicate image retrieval system demonstrate the effectiveness and efficiency of the proposed algorithm.
Daubechies wavelets for linear scaling density functional theory.
Mohr, Stephan; Ratcliff, Laura E; Boulanger, Paul; Genovese, Luigi; Caliste, Damien; Deutsch, Thierry; Goedecker, Stefan
2014-05-28
We demonstrate that Daubechies wavelets can be used to construct a minimal set of optimized localized adaptively contracted basis functions in which the Kohn-Sham orbitals can be represented with an arbitrarily high, controllable precision. Ground state energies and the forces acting on the ions can be calculated in this basis with the same accuracy as if they were calculated directly in a Daubechies wavelets basis, provided that the amplitude of these adaptively contracted basis functions is sufficiently small on the surface of the localization region, which is guaranteed by the optimization procedure described in this work. This approach reduces the computational costs of density functional theory calculations, and can be combined with sparse matrix algebra to obtain linear scaling with respect to the number of electrons in the system. Calculations on systems of 10,000 atoms or more thus become feasible in a systematic basis set with moderate computational resources. Further computational savings can be achieved by exploiting the similarity of the adaptively contracted basis functions for closely related environments, e.g., in geometry optimizations or combined calculations of neutral and charged systems.
2013 R&D 100 Award: âMiniappsâ Bolster High Performance Computing
Belak, Jim; Richards, David
2018-06-12
Two Livermore computer scientists served on a Sandia National Laboratories-led team that developed Mantevo Suite 1.0, the first integrated suite of small software programs, also called "miniapps," to be made available to the high performance computing (HPC) community. These miniapps facilitate the development of new HPC systems and the applications that run on them. Miniapps (miniature applications) serve as stripped down surrogates for complex, full-scale applications that can require a great deal of time and effort to port to a new HPC system because they often consist of hundreds of thousands of lines of code. The miniapps are a prototype that contains some or all of the essentials of the real application but with many fewer lines of code, making the miniapp more versatile for experimentation. This allows researchers to more rapidly explore options and optimize system design, greatly improving the chances the full-scale application will perform successfully. These miniapps have become essential tools for exploring complex design spaces because they can reliably predict the performance of full applications.
Barnett, J Matthew; Yu, Xiao-Ying; Recknagle, Kurtis P; Glissmeyer, John A
2016-11-01
A planned laboratory space and exhaust system modification to the Pacific Northwest National Laboratory Material Science and Technology Building indicated that a new evaluation of the mixing at the air sampling system location would be required for compliance to ANSI/HPS N13.1-2011. The modified exhaust system would add a third fan, thereby increasing the overall exhaust rate out the stack, thus voiding the previous mixing study. Prior to modifying the radioactive air emissions exhaust system, a three-dimensional computational fluid dynamics computer model was used to evaluate the mixing at the sampling system location. Modeling of the original three-fan system indicated that not all mixing criteria could be met. A second modeling effort was conducted with the addition of an air blender downstream of the confluence of the three fans, which then showed satisfactory mixing results. The final installation included an air blender, and the exhaust system underwent full-scale tests to verify velocity, cyclonic flow, gas, and particulate uniformity. The modeling results and those of the full-scale tests show agreement between each of the evaluated criteria. The use of a computational fluid dynamics code was an effective aid in the design process and allowed the sampling system to remain in its original location while still meeting the requirements for sampling at a well mixed location.
GISpark: A Geospatial Distributed Computing Platform for Spatiotemporal Big Data
NASA Astrophysics Data System (ADS)
Wang, S.; Zhong, E.; Wang, E.; Zhong, Y.; Cai, W.; Li, S.; Gao, S.
2016-12-01
Geospatial data are growing exponentially because of the proliferation of cost effective and ubiquitous positioning technologies such as global remote-sensing satellites and location-based devices. Analyzing large amounts of geospatial data can provide great value for both industrial and scientific applications. Data- and compute- intensive characteristics inherent in geospatial big data increasingly pose great challenges to technologies of data storing, computing and analyzing. Such challenges require a scalable and efficient architecture that can store, query, analyze, and visualize large-scale spatiotemporal data. Therefore, we developed GISpark - a geospatial distributed computing platform for processing large-scale vector, raster and stream data. GISpark is constructed based on the latest virtualized computing infrastructures and distributed computing architecture. OpenStack and Docker are used to build multi-user hosting cloud computing infrastructure for GISpark. The virtual storage systems such as HDFS, Ceph, MongoDB are combined and adopted for spatiotemporal data storage management. Spark-based algorithm framework is developed for efficient parallel computing. Within this framework, SuperMap GIScript and various open-source GIS libraries can be integrated into GISpark. GISpark can also integrated with scientific computing environment (e.g., Anaconda), interactive computing web applications (e.g., Jupyter notebook), and machine learning tools (e.g., TensorFlow/Orange). The associated geospatial facilities of GISpark in conjunction with the scientific computing environment, exploratory spatial data analysis tools, temporal data management and analysis systems make up a powerful geospatial computing tool. GISpark not only provides spatiotemporal big data processing capacity in the geospatial field, but also provides spatiotemporal computational model and advanced geospatial visualization tools that deals with other domains related with spatial property. We tested the performance of the platform based on taxi trajectory analysis. Results suggested that GISpark achieves excellent run time performance in spatiotemporal big data applications.
Advanced information processing system
NASA Technical Reports Server (NTRS)
Lala, J. H.
1984-01-01
Design and performance details of the advanced information processing system (AIPS) for fault and damage tolerant data processing on aircraft and spacecraft are presented. AIPS comprises several computers distributed throughout the vehicle and linked by a damage tolerant data bus. Most I/O functions are available to all the computers, which run in a TDMA mode. Each computer performs separate specific tasks in normal operation and assumes other tasks in degraded modes. Redundant software assures that all fault monitoring, logging and reporting are automated, together with control functions. Redundant duplex links and damage-spread limitation provide the fault tolerance. Details of an advanced design of a laboratory-scale proof-of-concept system are described, including functional operations.
1988-09-01
Group Subgroup Command and control; Computational linguistics; expert system voice recognition; man- machine interface; U.S. Government 19 Abstract...simulates the characteristics of FRESH on a smaller scale. This study assisted NOSC in developing a voice-recognition, man- machine interface that could...scale. This study assisted NOSC in developing a voice-recogni- tion, man- machine interface that could be used with TONE and upgraded at a later date
NASA Technical Reports Server (NTRS)
Nguyen, Duc T.; Storaasli, Olaf O.; Qin, Jiangning; Qamar, Ramzi
1994-01-01
An automatic differentiation tool (ADIFOR) is incorporated into a finite element based structural analysis program for shape and non-shape design sensitivity analysis of structural systems. The entire analysis and sensitivity procedures are parallelized and vectorized for high performance computation. Small scale examples to verify the accuracy of the proposed program and a medium scale example to demonstrate the parallel vector performance on multiple CRAY C90 processors are included.
Large Scale GW Calculations on the Cori System
NASA Astrophysics Data System (ADS)
Deslippe, Jack; Del Ben, Mauro; da Jornada, Felipe; Canning, Andrew; Louie, Steven
The NERSC Cori system, powered by 9000+ Intel Xeon-Phi processors, represents one of the largest HPC systems for open-science in the United States and the world. We discuss the optimization of the GW methodology for this system, including both node level and system-scale optimizations. We highlight multiple large scale (thousands of atoms) case studies and discuss both absolute application performance and comparison to calculations on more traditional HPC architectures. We find that the GW method is particularly well suited for many-core architectures due to the ability to exploit a large amount of parallelism across many layers of the system. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program.
Visual analysis of inter-process communication for large-scale parallel computing.
Muelder, Chris; Gygi, Francois; Ma, Kwan-Liu
2009-01-01
In serial computation, program profiling is often helpful for optimization of key sections of code. When moving to parallel computation, not only does the code execution need to be considered but also communication between the different processes which can induce delays that are detrimental to performance. As the number of processes increases, so does the impact of the communication delays on performance. For large-scale parallel applications, it is critical to understand how the communication impacts performance in order to make the code more efficient. There are several tools available for visualizing program execution and communications on parallel systems. These tools generally provide either views which statistically summarize the entire program execution or process-centric views. However, process-centric visualizations do not scale well as the number of processes gets very large. In particular, the most common representation of parallel processes is a Gantt char t with a row for each process. As the number of processes increases, these charts can become difficult to work with and can even exceed screen resolution. We propose a new visualization approach that affords more scalability and then demonstrate it on systems running with up to 16,384 processes.
LASSIE: simulating large-scale models of biochemical systems on GPUs.
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.
Self-guaranteed measurement-based quantum computation
NASA Astrophysics Data System (ADS)
Hayashi, Masahito; Hajdušek, Michal
2018-05-01
In order to guarantee the output of a quantum computation, we usually assume that the component devices are trusted. However, when the total computation process is large, it is not easy to guarantee the whole system when we have scaling effects, unexpected noise, or unaccounted for correlations between several subsystems. If we do not trust the measurement basis or the prepared entangled state, we do need to be worried about such uncertainties. To this end, we propose a self-guaranteed protocol for verification of quantum computation under the scheme of measurement-based quantum computation where no prior-trusted devices (measurement basis or entangled state) are needed. The approach we present enables the implementation of verifiable quantum computation using the measurement-based model in the context of a particular instance of delegated quantum computation where the server prepares the initial computational resource and sends it to the client, who drives the computation by single-qubit measurements. Applying self-testing procedures, we are able to verify the initial resource as well as the operation of the quantum devices and hence the computation itself. The overhead of our protocol scales with the size of the initial resource state to the power of 4 times the natural logarithm of the initial state's size.
Optical interconnection networks for high-performance computing systems
NASA Astrophysics Data System (ADS)
Biberman, Aleksandr; Bergman, Keren
2012-04-01
Enabled by silicon photonic technology, optical interconnection networks have the potential to be a key disruptive technology in computing and communication industries. The enduring pursuit of performance gains in computing, combined with stringent power constraints, has fostered the ever-growing computational parallelism associated with chip multiprocessors, memory systems, high-performance computing systems and data centers. Sustaining these parallelism growths introduces unique challenges for on- and off-chip communications, shifting the focus toward novel and fundamentally different communication approaches. Chip-scale photonic interconnection networks, enabled by high-performance silicon photonic devices, offer unprecedented bandwidth scalability with reduced power consumption. We demonstrate that the silicon photonic platforms have already produced all the high-performance photonic devices required to realize these types of networks. Through extensive empirical characterization in much of our work, we demonstrate such feasibility of waveguides, modulators, switches and photodetectors. We also demonstrate systems that simultaneously combine many functionalities to achieve more complex building blocks. We propose novel silicon photonic devices, subsystems, network topologies and architectures to enable unprecedented performance of these photonic interconnection networks. Furthermore, the advantages of photonic interconnection networks extend far beyond the chip, offering advanced communication environments for memory systems, high-performance computing systems, and data centers.
Levy, Scott; Ferreira, Kurt B.; Bridges, Patrick G.; ...
2014-12-09
Building the next-generation of extreme-scale distributed systems will require overcoming several challenges related to system resilience. As the number of processors in these systems grow, the failure rate increases proportionally. One of the most common sources of failure in large-scale systems is memory. In this paper, we propose a novel runtime for transparently exploiting memory content similarity to improve system resilience by reducing the rate at which memory errors lead to node failure. We evaluate the viability of this approach by examining memory snapshots collected from eight high-performance computing (HPC) applications and two important HPC operating systems. Based on themore » characteristics of the similarity uncovered, we conclude that our proposed approach shows promise for addressing system resilience in large-scale systems.« less
Consolidation of cloud computing in ATLAS
NASA Astrophysics Data System (ADS)
Taylor, Ryan P.; Domingues Cordeiro, Cristovao Jose; Giordano, Domenico; Hover, John; Kouba, Tomas; Love, Peter; McNab, Andrew; Schovancova, Jaroslava; Sobie, Randall; ATLAS Collaboration
2017-10-01
Throughout the first half of LHC Run 2, ATLAS cloud computing has undergone a period of consolidation, characterized by building upon previously established systems, with the aim of reducing operational effort, improving robustness, and reaching higher scale. This paper describes the current state of ATLAS cloud computing. Cloud activities are converging on a common contextualization approach for virtual machines, and cloud resources are sharing monitoring and service discovery components. We describe the integration of Vacuum resources, streamlined usage of the Simulation at Point 1 cloud for offline processing, extreme scaling on Amazon compute resources, and procurement of commercial cloud capacity in Europe. Finally, building on the previously established monitoring infrastructure, we have deployed a real-time monitoring and alerting platform which coalesces data from multiple sources, provides flexible visualization via customizable dashboards, and issues alerts and carries out corrective actions in response to problems.
Development and Application of a Process-based River System Model at a Continental Scale
NASA Astrophysics Data System (ADS)
Kim, S. S. H.; Dutta, D.; Vaze, J.; Hughes, J. D.; Yang, A.; Teng, J.
2014-12-01
Existing global and continental scale river models, mainly designed for integrating with global climate model, are of very course spatial resolutions and they lack many important hydrological processes, such as overbank flow, irrigation diversion, groundwater seepage/recharge, which operate at a much finer resolution. Thus, these models are not suitable for producing streamflow forecast at fine spatial resolution and water accounts at sub-catchment levels, which are important for water resources planning and management at regional and national scale. A large-scale river system model has been developed and implemented for water accounting in Australia as part of the Water Information Research and Development Alliance between Australia's Bureau of Meteorology (BoM) and CSIRO. The model, developed using node-link architecture, includes all major hydrological processes, anthropogenic water utilisation and storage routing that influence the streamflow in both regulated and unregulated river systems. It includes an irrigation model to compute water diversion for irrigation use and associated fluxes and stores and a storage-based floodplain inundation model to compute overbank flow from river to floodplain and associated floodplain fluxes and stores. An auto-calibration tool has been built within the modelling system to automatically calibrate the model in large river systems using Shuffled Complex Evolution optimiser and user-defined objective functions. The auto-calibration tool makes the model computationally efficient and practical for large basin applications. The model has been implemented in several large basins in Australia including the Murray-Darling Basin, covering more than 2 million km2. The results of calibration and validation of the model shows highly satisfactory performance. The model has been operalisationalised in BoM for producing various fluxes and stores for national water accounting. This paper introduces this newly developed river system model describing the conceptual hydrological framework, methods used for representing different hydrological processes in the model and the results and evaluation of the model performance. The operational implementation of the model for water accounting is discussed.
NASA Astrophysics Data System (ADS)
Pelissetto, Andrea; Rossini, Davide; Vicari, Ettore
2018-03-01
We investigate the quantum dynamics of many-body systems subject to local (i.e., restricted to a limited space region) time-dependent perturbations. If the system crosses a quantum phase transition, an off-equilibrium behavior is observed, even for a very slow driving. We show that, close to the transition, time-dependent quantities obey scaling laws. In first-order transitions, the scaling behavior is universal, and some scaling functions can be computed exactly. For continuous transitions, the scaling laws are controlled by the standard critical exponents and by the renormalization-group dimension of the perturbation at the transition. Our protocol can be implemented in existing relatively small quantum simulators, paving the way for a quantitative probe of the universal off-equilibrium scaling behavior, without the need to manipulate systems close to the thermodynamic limit.
NASA Technical Reports Server (NTRS)
Biggerstaff, J. A. (Editor)
1985-01-01
Topics related to physics instrumentation are discussed, taking into account cryostat and electronic development associated with multidetector spectrometer systems, the influence of materials and counting-rate effects on He-3 neutron spectrometry, a data acquisition system for time-resolved muscle experiments, and a sensitive null detector for precise measurements of integral linearity. Other subjects explored are concerned with space instrumentation, computer applications, detectors, instrumentation for high energy physics, instrumentation for nuclear medicine, environmental monitoring and health physics instrumentation, nuclear safeguards and reactor instrumentation, and a 1984 symposium on nuclear power systems. Attention is given to the application of multiprocessors to scientific problems, a large-scale computer facility for computational aerodynamics, a single-board 32-bit computer for the Fastbus, the integration of detector arrays and readout electronics on a single chip, and three-dimensional Monte Carlo simulation of the electron avalanche in a proportional counter.
Atomic switch networks—nanoarchitectonic design of a complex system for natural computing
NASA Astrophysics Data System (ADS)
Demis, E. C.; Aguilera, R.; Sillin, H. O.; Scharnhorst, K.; Sandouk, E. J.; Aono, M.; Stieg, A. Z.; Gimzewski, J. K.
2015-05-01
Self-organized complex systems are ubiquitous in nature, and the structural complexity of these natural systems can be used as a model to design new classes of functional nanotechnology based on highly interconnected networks of interacting units. Conventional fabrication methods for electronic computing devices are subject to known scaling limits, confining the diversity of possible architectures. This work explores methods of fabricating a self-organized complex device known as an atomic switch network and discusses its potential utility in computing. Through a merger of top-down and bottom-up techniques guided by mathematical and nanoarchitectonic design principles, we have produced functional devices comprising nanoscale elements whose intrinsic nonlinear dynamics and memorization capabilities produce robust patterns of distributed activity and a capacity for nonlinear transformation of input signals when configured in the appropriate network architecture. Their operational characteristics represent a unique potential for hardware implementation of natural computation, specifically in the area of reservoir computing—a burgeoning field that investigates the computational aptitude of complex biologically inspired systems.
Critical Problems in Very Large Scale Computer Systems
1990-03-31
Srinivas Devadas (617) 253-0454 Thomas F. Knight, Jr. (617) 253-7807 F. Thomson Leighton (617) 253-3662 Charles E. Leiserson (617) 253-5833 Jacob K...Aided Design of Integrated Circuits and Systems, pages 19-29, January 1990. [5] S. Arora, T. Leighton, and B . Maggs. On-line algorithms for path...selection in a non-blocking network. In Proceedings of the 21st Annual ACM Symposium on Theory of Computing, May 1990. To appear. [6] P. Ashar, S. Devadas
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chow, Edmond
Solving sparse problems is at the core of many DOE computational science applications. We focus on the challenge of developing sparse algorithms that can fully exploit the parallelism in extreme-scale computing systems, in particular systems with massive numbers of cores per node. Our approach is to express a sparse matrix factorization as a large number of bilinear constraint equations, and then solving these equations via an asynchronous iterative method. The unknowns in these equations are the matrix entries of the factorization that is desired.
Waggle: A Framework for Intelligent Attentive Sensing and Actuation
NASA Astrophysics Data System (ADS)
Sankaran, R.; Jacob, R. L.; Beckman, P. H.; Catlett, C. E.; Keahey, K.
2014-12-01
Advances in sensor-driven computation and computationally steered sensing will greatly enable future research in fields including environmental and atmospheric sciences. We will present "Waggle," an open-source hardware and software infrastructure developed with two goals: (1) reducing the separation and latency between sensing and computing and (2) improving the reliability and longevity of sensing-actuation platforms in challenging and costly deployments. Inspired by "deep-space probe" systems, the Waggle platform design includes features that can support longitudinal studies, deployments with varying communication links, and remote management capabilities. Waggle lowers the barrier for scientists to incorporate real-time data from their sensors into their computations and to manipulate the sensors or provide feedback through actuators. A standardized software and hardware design allows quick addition of new sensors/actuators and associated software in the nodes and enables them to be coupled with computational codes both insitu and on external compute infrastructure. The Waggle framework currently drives the deployment of two observational systems - a portable and self-sufficient weather platform for study of small-scale effects in Chicago's urban core and an open-ended distributed instrument in Chicago that aims to support several research pursuits across a broad range of disciplines including urban planning, microbiology and computer science. Built around open-source software, hardware, and Linux OS, the Waggle system comprises two components - the Waggle field-node and Waggle cloud-computing infrastructure. Waggle field-node affords a modular, scalable, fault-tolerant, secure, and extensible platform for hosting sensors and actuators in the field. It supports insitu computation and data storage, and integration with cloud-computing infrastructure. The Waggle cloud infrastructure is designed with the goal of scaling to several hundreds of thousands of Waggle nodes. It supports aggregating data from sensors hosted by the nodes, staging computation, relaying feedback to the nodes and serving data to end-users. We will discuss the Waggle design principles and their applicability to various observational research pursuits, and demonstrate its capabilities.
Diaz, Javier; Arrizabalaga, Saioa; Bustamante, Paul; Mesa, Iker; Añorga, Javier; Goya, Jon
2013-01-01
Portable systems and global communications open a broad spectrum for new health applications. In the framework of electrophysiological applications, several challenges are faced when developing portable systems embedded in Cloud computing services. In order to facilitate new developers in this area based on our experience, five areas of interest are presented in this paper where strategies can be applied for improving the performance of portable systems: transducer and conditioning, processing, wireless communications, battery and power management. Likewise, for Cloud services, scalability, portability, privacy and security guidelines have been highlighted.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wong, Michael K.; Davidson, Megan
As part of Sandia’s nuclear deterrence mission, the B61-12 Life Extension Program (LEP) aims to modernize the aging weapon system. Modernization requires requalification and Sandia is using high performance computing to perform advanced computational simulations to better understand, evaluate, and verify weapon system performance in conjunction with limited physical testing. The Nose Bomb Subassembly (NBSA) of the B61-12 is responsible for producing a fuzing signal upon ground impact. The fuzing signal is dependent upon electromechanical impact sensors producing valid electrical fuzing signals at impact. Computer generated models were used to assess the timing between the impact sensor’s response to themore » deceleration of impact and damage to major components and system subassemblies. The modeling and simulation team worked alongside the physical test team to design a large-scale reverse ballistic test to not only assess system performance, but to also validate their computational models. The reverse ballistic test conducted at Sandia’s sled test facility sent a rocket sled with a representative target into a stationary B61-12 (NBSA) to characterize the nose crush and functional response of NBSA components. Data obtained from data recorders and high-speed photometrics were integrated with previously generated computer models in order to refine and validate the model’s ability to reliably simulate real-world effects. Large-scale tests are impractical to conduct for every single impact scenario. By creating reliable computer models, we can perform simulations that identify trends and produce estimates of outcomes over the entire range of required impact conditions. Sandia’s HPCs enable geometric resolution that was unachievable before, allowing for more fidelity and detail, and creating simulations that can provide insight to support evaluation of requirements and performance margins. As computing resources continue to improve, researchers at Sandia are hoping to improve these simulations so they provide increasingly credible analysis of the system response and performance over the full range of conditions.« less
Large-Scale, Parallel, Multi-Sensor Atmospheric Data Fusion Using Cloud Computing
NASA Astrophysics Data System (ADS)
Wilson, B. D.; Manipon, G.; Hua, H.; Fetzer, E. J.
2013-12-01
NASA's Earth Observing System (EOS) is an ambitious facility for studying global climate change. The mandate now is to combine measurements from the instruments on the 'A-Train' platforms (AIRS, AMSR-E, MODIS, MISR, MLS, and CloudSat) and other Earth probes to enable large-scale studies of climate change over decades. Moving to multi-sensor, long-duration analyses of important climate variables presents serious challenges for large-scale data mining and fusion. For example, one might want to compare temperature and water vapor retrievals from one instrument (AIRS) to another (MODIS), and to a model (MERRA), stratify the comparisons using a classification of the 'cloud scenes' from CloudSat, and repeat the entire analysis over 10 years of data. To efficiently assemble such datasets, we are utilizing Elastic Computing in the Cloud and parallel map/reduce-based algorithms. However, these problems are Data Intensive computing so the data transfer times and storage costs (for caching) are key issues. SciReduce is a Hadoop-like parallel analysis system, programmed in parallel python, that is designed from the ground up for Earth science. SciReduce executes inside VMWare images and scales to any number of nodes in the Cloud. Unlike Hadoop, SciReduce operates on bundles of named numeric arrays, which can be passed in memory or serialized to disk in netCDF4 or HDF5. Figure 1 shows the architecture of the full computational system, with SciReduce at the core. Multi-year datasets are automatically 'sharded' by time and space across a cluster of nodes so that years of data (millions of files) can be processed in a massively parallel way. Input variables (arrays) are pulled on-demand into the Cloud using OPeNDAP URLs or other subsetting services, thereby minimizing the size of the cached input and intermediate datasets. We are using SciReduce to automate the production of multiple versions of a ten-year A-Train water vapor climatology under a NASA MEASURES grant. We will present the architecture of SciReduce, describe the achieved 'clock time' speedups in fusing datasets on our own compute nodes and in the public Cloud, and discuss the Cloud cost tradeoffs for storage, compute, and data transfer. We will also present a concept/prototype for staging NASA's A-Train Atmospheric datasets (Levels 2 & 3) in the Amazon Cloud so that any number of compute jobs can be executed 'near' the multi-sensor data. Given such a system, multi-sensor climate studies over 10-20 years of data could be performed in an efficient way, with the researcher paying only his own Cloud compute bill. SciReduce Architecture
Design and Development of a Run-Time Monitor for Multi-Core Architectures in Cloud Computing
Kang, Mikyung; Kang, Dong-In; Crago, Stephen P.; Park, Gyung-Leen; Lee, Junghoon
2011-01-01
Cloud computing is a new information technology trend that moves computing and data away from desktops and portable PCs into large data centers. The basic principle of cloud computing is to deliver applications as services over the Internet as well as infrastructure. A cloud is a type of parallel and distributed system consisting of a collection of inter-connected and virtualized computers that are dynamically provisioned and presented as one or more unified computing resources. The large-scale distributed applications on a cloud require adaptive service-based software, which has the capability of monitoring system status changes, analyzing the monitored information, and adapting its service configuration while considering tradeoffs among multiple QoS features simultaneously. In this paper, we design and develop a Run-Time Monitor (RTM) which is a system software to monitor the application behavior at run-time, analyze the collected information, and optimize cloud computing resources for multi-core architectures. RTM monitors application software through library instrumentation as well as underlying hardware through a performance counter optimizing its computing configuration based on the analyzed data. PMID:22163811
Design and development of a run-time monitor for multi-core architectures in cloud computing.
Kang, Mikyung; Kang, Dong-In; Crago, Stephen P; Park, Gyung-Leen; Lee, Junghoon
2011-01-01
Cloud computing is a new information technology trend that moves computing and data away from desktops and portable PCs into large data centers. The basic principle of cloud computing is to deliver applications as services over the Internet as well as infrastructure. A cloud is a type of parallel and distributed system consisting of a collection of inter-connected and virtualized computers that are dynamically provisioned and presented as one or more unified computing resources. The large-scale distributed applications on a cloud require adaptive service-based software, which has the capability of monitoring system status changes, analyzing the monitored information, and adapting its service configuration while considering tradeoffs among multiple QoS features simultaneously. In this paper, we design and develop a Run-Time Monitor (RTM) which is a system software to monitor the application behavior at run-time, analyze the collected information, and optimize cloud computing resources for multi-core architectures. RTM monitors application software through library instrumentation as well as underlying hardware through a performance counter optimizing its computing configuration based on the analyzed data.
Localization Algorithm Based on a Spring Model (LASM) for Large Scale Wireless Sensor Networks.
Chen, Wanming; Mei, Tao; Meng, Max Q-H; Liang, Huawei; Liu, Yumei; Li, Yangming; Li, Shuai
2008-03-15
A navigation method for a lunar rover based on large scale wireless sensornetworks is proposed. To obtain high navigation accuracy and large exploration area, highnode localization accuracy and large network scale are required. However, thecomputational and communication complexity and time consumption are greatly increasedwith the increase of the network scales. A localization algorithm based on a spring model(LASM) method is proposed to reduce the computational complexity, while maintainingthe localization accuracy in large scale sensor networks. The algorithm simulates thedynamics of physical spring system to estimate the positions of nodes. The sensor nodesare set as particles with masses and connected with neighbor nodes by virtual springs. Thevirtual springs will force the particles move to the original positions, the node positionscorrespondingly, from the randomly set positions. Therefore, a blind node position can bedetermined from the LASM algorithm by calculating the related forces with the neighbornodes. The computational and communication complexity are O(1) for each node, since thenumber of the neighbor nodes does not increase proportionally with the network scale size.Three patches are proposed to avoid local optimization, kick out bad nodes and deal withnode variation. Simulation results show that the computational and communicationcomplexity are almost constant despite of the increase of the network scale size. The time consumption has also been proven to remain almost constant since the calculation steps arealmost unrelated with the network scale size.
Progress in Computational Simulation of Earthquakes
NASA Technical Reports Server (NTRS)
Donnellan, Andrea; Parker, Jay; Lyzenga, Gregory; Judd, Michele; Li, P. Peggy; Norton, Charles; Tisdale, Edwin; Granat, Robert
2006-01-01
GeoFEST(P) is a computer program written for use in the QuakeSim project, which is devoted to development and improvement of means of computational simulation of earthquakes. GeoFEST(P) models interacting earthquake fault systems from the fault-nucleation to the tectonic scale. The development of GeoFEST( P) has involved coupling of two programs: GeoFEST and the Pyramid Adaptive Mesh Refinement Library. GeoFEST is a message-passing-interface-parallel code that utilizes a finite-element technique to simulate evolution of stress, fault slip, and plastic/elastic deformation in realistic materials like those of faulted regions of the crust of the Earth. The products of such simulations are synthetic observable time-dependent surface deformations on time scales from days to decades. Pyramid Adaptive Mesh Refinement Library is a software library that facilitates the generation of computational meshes for solving physical problems. In an application of GeoFEST(P), a computational grid can be dynamically adapted as stress grows on a fault. Simulations on workstations using a few tens of thousands of stress and displacement finite elements can now be expanded to multiple millions of elements with greater than 98-percent scaled efficiency on over many hundreds of parallel processors (see figure).
Visualization and Interactivity in the Teaching of Chemistry to Science and Non-Science Students
ERIC Educational Resources Information Center
Venkataraman, Bhawani
2009-01-01
A series of interactive, instructional units have been developed that integrate computational molecular modelling and visualization to teach fundamental chemistry concepts and the relationship between the molecular and macro-scales. The units span the scale from atoms, small molecules to macromolecular systems, and introduce many of the concepts…
Scientific Discovery through Advanced Computing in Plasma Science
NASA Astrophysics Data System (ADS)
Tang, William
2005-03-01
Advanced computing is generally recognized to be an increasingly vital tool for accelerating progress in scientific research during the 21st Century. For example, the Department of Energy's ``Scientific Discovery through Advanced Computing'' (SciDAC) Program was motivated in large measure by the fact that formidable scientific challenges in its research portfolio could best be addressed by utilizing the combination of the rapid advances in super-computing technology together with the emergence of effective new algorithms and computational methodologies. The imperative is to translate such progress into corresponding increases in the performance of the scientific codes used to model complex physical systems such as those encountered in high temperature plasma research. If properly validated against experimental measurements and analytic benchmarks, these codes can provide reliable predictive capability for the behavior of a broad range of complex natural and engineered systems. This talk reviews recent progress and future directions for advanced simulations with some illustrative examples taken from the plasma science applications area. Significant recent progress has been made in both particle and fluid simulations of fine-scale turbulence and large-scale dynamics, giving increasingly good agreement between experimental observations and computational modeling. This was made possible by the combination of access to powerful new computational resources together with innovative advances in analytic and computational methods for developing reduced descriptions of physics phenomena spanning a huge range in time and space scales. In particular, the plasma science community has made excellent progress in developing advanced codes for which computer run-time and problem size scale well with the number of processors on massively parallel machines (MPP's). A good example is the effective usage of the full power of multi-teraflop (multi-trillion floating point computations per second) MPP's to produce three-dimensional, general geometry, nonlinear particle simulations which have accelerated progress in understanding the nature of plasma turbulence in magnetically-confined high temperature plasmas. These calculations, which typically utilized billions of particles for thousands of time-steps, would not have been possible without access to powerful present generation MPP computers and the associated diagnostic and visualization capabilities. In general, results from advanced simulations provide great encouragement for being able to include increasingly realistic dynamics to enable deeper physics insights into plasmas in both natural and laboratory environments. The associated scientific excitement should serve to stimulate improved cross-cutting collaborations with other fields and also to help attract bright young talent to the computational science area.
Maestro: an orchestration framework for large-scale WSN simulations.
Riliskis, Laurynas; Osipov, Evgeny
2014-03-18
Contemporary wireless sensor networks (WSNs) have evolved into large and complex systems and are one of the main technologies used in cyber-physical systems and the Internet of Things. Extensive research on WSNs has led to the development of diverse solutions at all levels of software architecture, including protocol stacks for communications. This multitude of solutions is due to the limited computational power and restrictions on energy consumption that must be accounted for when designing typical WSN systems. It is therefore challenging to develop, test and validate even small WSN applications, and this process can easily consume significant resources. Simulations are inexpensive tools for testing, verifying and generally experimenting with new technologies in a repeatable fashion. Consequently, as the size of the systems to be tested increases, so does the need for large-scale simulations. This article describes a tool called Maestro for the automation of large-scale simulation and investigates the feasibility of using cloud computing facilities for such task. Using tools that are built into Maestro, we demonstrate a feasible approach for benchmarking cloud infrastructure in order to identify cloud Virtual Machine (VM)instances that provide an optimal balance of performance and cost for a given simulation.
Maestro: An Orchestration Framework for Large-Scale WSN Simulations
Riliskis, Laurynas; Osipov, Evgeny
2014-01-01
Contemporary wireless sensor networks (WSNs) have evolved into large and complex systems and are one of the main technologies used in cyber-physical systems and the Internet of Things. Extensive research on WSNs has led to the development of diverse solutions at all levels of software architecture, including protocol stacks for communications. This multitude of solutions is due to the limited computational power and restrictions on energy consumption that must be accounted for when designing typical WSN systems. It is therefore challenging to develop, test and validate even small WSN applications, and this process can easily consume significant resources. Simulations are inexpensive tools for testing, verifying and generally experimenting with new technologies in a repeatable fashion. Consequently, as the size of the systems to be tested increases, so does the need for large-scale simulations. This article describes a tool called Maestro for the automation of large-scale simulation and investigates the feasibility of using cloud computing facilities for such task. Using tools that are built into Maestro, we demonstrate a feasible approach for benchmarking cloud infrastructure in order to identify cloud Virtual Machine (VM)instances that provide an optimal balance of performance and cost for a given simulation. PMID:24647123
Remote sensing of vegetation structure using computer vision
NASA Astrophysics Data System (ADS)
Dandois, Jonathan P.
High-spatial resolution measurements of vegetation structure are needed for improving understanding of ecosystem carbon, water and nutrient dynamics, the response of ecosystems to a changing climate, and for biodiversity mapping and conservation, among many research areas. Our ability to make such measurements has been greatly enhanced by continuing developments in remote sensing technology---allowing researchers the ability to measure numerous forest traits at varying spatial and temporal scales and over large spatial extents with minimal to no field work, which is costly for large spatial areas or logistically difficult in some locations. Despite these advances, there remain several research challenges related to the methods by which three-dimensional (3D) and spectral datasets are joined (remote sensing fusion) and the availability and portability of systems for frequent data collections at small scale sampling locations. Recent advances in the areas of computer vision structure from motion (SFM) and consumer unmanned aerial systems (UAS) offer the potential to address these challenges by enabling repeatable measurements of vegetation structural and spectral traits at the scale of individual trees. However, the potential advances offered by computer vision remote sensing also present unique challenges and questions that need to be addressed before this approach can be used to improve understanding of forest ecosystems. For computer vision remote sensing to be a valuable tool for studying forests, bounding information about the characteristics of the data produced by the system will help researchers understand and interpret results in the context of the forest being studied and of other remote sensing techniques. This research advances understanding of how forest canopy and tree 3D structure and color are accurately measured by a relatively low-cost and portable computer vision personal remote sensing system: 'Ecosynth'. Recommendations are made for optimal conditions under which forest structure measurements should be obtained with UAS-SFM remote sensing. Ultimately remote sensing of vegetation by computer vision offers the potential to provide an 'ecologist's eye view', capturing not only canopy 3D and spectral properties, but also seeing the trees in the forest and the leaves on the trees.
Geometry-Of-Fire Tracking Algorithm for Direct-Fire Weapon Systems
2015-09-01
this specific application. A scaled-down version for a fire team was created with XBee Pro radios, Arduino Uno microcontrollers, Raspberry Pi computers...constructed with XBee Pro radios, Arduino Uno microcontrollers, Raspberry Pi computers and ROS [5]. The XBee Pro radios and Arduino Uno microcontrollers...communicated the positional data of each node as shown in Figure 4, and the Raspberry Pi computers and ROS executed the tracking algorithm and allowed
2012-04-21
the photoelectric effect. The typical shortest wavelengths needed for ion traps range from 194 nm for Hg+ to 493 nm for Ba +, corresponding to 6.4-2.5...REPORT Comprehensive Materials and Morphologies Study of Ion Traps (COMMIT) for scalable Quantum Computation - Final Report 14. ABSTRACT 16. SECURITY...CLASSIFICATION OF: Trapped ion systems, are extremely promising for large-scale quantum computation, but face a vexing problem, with motional quantum
Fractal analysis of urban environment: land use and sewer system
NASA Astrophysics Data System (ADS)
Gires, A.; Ochoa Rodriguez, S.; Van Assel, J.; Bruni, G.; Murla Tulys, D.; Wang, L.; Pina, R.; Richard, J.; Ichiba, A.; Willems, P.; Tchiguirinskaia, I.; ten Veldhuis, M. C.; Schertzer, D. J. M.
2014-12-01
Land use distribution are usually obtained by automatic processing of satellite and airborne pictures. The complexity of the obtained patterns which are furthermore scale dependent is enhanced in urban environment. This scale dependency is even more visible in a rasterized representation where only a unique class is affected to each pixel. A parameter commonly analysed in urban hydrology is the coefficient of imperviousness, which reflects the proportion of rainfall that will be immediately active in the catchment response. This coefficient is strongly scale dependent with a rasterized representation. This complex behaviour is well grasped with the help of the scale invariant notion of fractal dimension which enables to quantify the space occupied by a geometrical set (here the impervious areas) not only at a single scale but across all scales. This fractal dimension is also compared to the ones computed on the representation of the catchments with the help of operational semi-distributed models. Fractal dimensions of the corresponding sewer systems are also computed and compared with values found in the literature for natural river networks. This methodology is tested on 7 pilot sites of the European NWE Interreg IV RainGain project located in France, Belgium, Netherlands, United-Kingdom and Portugal. Results are compared between all the case study which exhibit different physical features (slope, level of urbanisation, population density...).
Lee, Kang-Hoon; Shin, Kyung-Seop; Lim, Debora; Kim, Woo-Chan; Chung, Byung Chang; Han, Gyu-Bum; Roh, Jeongkyu; Cho, Dong-Ho; Cho, Kiho
2015-07-01
The genomes of living organisms are populated with pleomorphic repetitive elements (REs) of varying densities. Our hypothesis that genomic RE landscapes are species/strain/individual-specific was implemented into the Genome Signature Imaging system to visualize and compute the RE-based signatures of any genome. Following the occurrence profiling of 5-nucleotide REs/words, the information from top-50 frequency words was transformed into a genome-specific signature and visualized as Genome Signature Images (GSIs), using a CMYK scheme. An algorithm for computing distances among GSIs was formulated using the GSIs' variables (word identity, frequency, and frequency order). The utility of the GSI-distance computation system was demonstrated with control genomes. GSI-based computation of genome-relatedness among 1766 microbes (117 archaea and 1649 bacteria) identified their clustering patterns; although the majority paralleled the established classification, some did not. The Genome Signature Imaging system, with its visualization and distance computation functions, enables genome-scale evolutionary studies involving numerous genomes with varying sizes. Copyright © 2015 Elsevier Inc. All rights reserved.
Mantle Convection on Modern Supercomputers
NASA Astrophysics Data System (ADS)
Weismüller, J.; Gmeiner, B.; Huber, M.; John, L.; Mohr, M.; Rüde, U.; Wohlmuth, B.; Bunge, H. P.
2015-12-01
Mantle convection is the cause for plate tectonics, the formation of mountains and oceans, and the main driving mechanism behind earthquakes. The convection process is modeled by a system of partial differential equations describing the conservation of mass, momentum and energy. Characteristic to mantle flow is the vast disparity of length scales from global to microscopic, turning mantle convection simulations into a challenging application for high-performance computing. As system size and technical complexity of the simulations continue to increase, design and implementation of simulation models for next generation large-scale architectures is handled successfully only in an interdisciplinary context. A new priority program - named SPPEXA - by the German Research Foundation (DFG) addresses this issue, and brings together computer scientists, mathematicians and application scientists around grand challenges in HPC. Here we report from the TERRA-NEO project, which is part of the high visibility SPPEXA program, and a joint effort of four research groups. TERRA-NEO develops algorithms for future HPC infrastructures, focusing on high computational efficiency and resilience in next generation mantle convection models. We present software that can resolve the Earth's mantle with up to 1012 grid points and scales efficiently to massively parallel hardware with more than 50,000 processors. We use our simulations to explore the dynamic regime of mantle convection and assess the impact of small scale processes on global mantle flow.
Towards quantum chemistry on a quantum computer.
Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G
2010-02-01
Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.
AGIS: Evolution of Distributed Computing information system for ATLAS
NASA Astrophysics Data System (ADS)
Anisenkov, A.; Di Girolamo, A.; Alandes, M.; Karavakis, E.
2015-12-01
ATLAS, a particle physics experiment at the Large Hadron Collider at CERN, produces petabytes of data annually through simulation production and tens of petabytes of data per year from the detector itself. The ATLAS computing model embraces the Grid paradigm and a high degree of decentralization of computing resources in order to meet the ATLAS requirements of petabytes scale data operations. It has been evolved after the first period of LHC data taking (Run-1) in order to cope with new challenges of the upcoming Run- 2. In this paper we describe the evolution and recent developments of the ATLAS Grid Information System (AGIS), developed in order to integrate configuration and status information about resources, services and topology of the computing infrastructure used by the ATLAS Distributed Computing applications and services.
Extreme-Scale De Novo Genome Assembly
DOE Office of Scientific and Technical Information (OSTI.GOV)
Georganas, Evangelos; Hofmeyr, Steven; Egan, Rob
De novo whole genome assembly reconstructs genomic sequence from short, overlapping, and potentially erroneous DNA segments and is one of the most important computations in modern genomics. This work presents HipMER, a high-quality end-to-end de novo assembler designed for extreme scale analysis, via efficient parallelization of the Meraculous code. Genome assembly software has many components, each of which stresses different components of a computer system. This chapter explains the computational challenges involved in each step of the HipMer pipeline, the key distributed data structures, and communication costs in detail. We present performance results of assembling the human genome and themore » large hexaploid wheat genome on large supercomputers up to tens of thousands of cores.« less
Efficient tiled calculation of over-10-gigapixel holograms using ray-wavefront conversion.
Igarashi, Shunsuke; Nakamura, Tomoya; Matsushima, Kyoji; Yamaguchi, Masahiro
2018-04-16
In the calculation of large-scale computer-generated holograms, an approach called "tiling," which divides the hologram plane into small rectangles, is often employed due to limitations on computational memory. However, the total amount of computational complexity severely increases with the number of divisions. In this paper, we propose an efficient method for calculating tiled large-scale holograms using ray-wavefront conversion. In experiments, the effectiveness of the proposed method was verified by comparing its calculation cost with that using the previous method. Additionally, a hologram of 128K × 128K pixels was calculated and fabricated by a laser-lithography system, and a high-quality 105 mm × 105 mm 3D image including complicated reflection and translucency was optically reconstructed.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Knio, Omar
2017-05-05
The current project develops a novel approach that uses a probabilistic description to capture the current state of knowledge about the computational solution. To effectively spread the computational effort over multiple nodes, the global computational domain is split into many subdomains. Computational uncertainty in the solution translates into uncertain boundary conditions for the equation system to be solved on those subdomains, and many independent, concurrent subdomain simulations are used to account for this bound- ary condition uncertainty. By relying on the fact that solutions on neighboring subdomains must agree with each other, a more accurate estimate for the global solutionmore » can be achieved. Statistical approaches in this update process make it possible to account for the effect of system faults in the probabilistic description of the computational solution, and the associated uncertainty is reduced through successive iterations. By combining all of these elements, the probabilistic reformulation allows splitting the computational work over very many independent tasks for good scalability, while being robust to system faults.« less
DGDFT: A massively parallel method for large scale density functional theory calculations.
Hu, Wei; Lin, Lin; Yang, Chao
2015-09-28
We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) method, for efficient large-scale Kohn-Sham DFT based electronic structure calculations. The DGDFT method uses adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field iteration to represent the solution to the Kohn-Sham equations. The use of the ALB set provides a systematic way to improve the accuracy of the approximation. By using the pole expansion and selected inversion technique to compute electron density, energy, and atomic forces, we can make the computational complexity of DGDFT scale at most quadratically with respect to the number of electrons for both insulating and metallic systems. We show that for the two-dimensional (2D) phosphorene systems studied here, using 37 basis functions per atom allows us to reach an accuracy level of 1.3 × 10(-4) Hartree/atom in terms of the error of energy and 6.2 × 10(-4) Hartree/bohr in terms of the error of atomic force, respectively. DGDFT can achieve 80% parallel efficiency on 128,000 high performance computing cores when it is used to study the electronic structure of 2D phosphorene systems with 3500-14 000 atoms. This high parallel efficiency results from a two-level parallelization scheme that we will describe in detail.
EON: software for long time simulations of atomic scale systems
NASA Astrophysics Data System (ADS)
Chill, Samuel T.; Welborn, Matthew; Terrell, Rye; Zhang, Liang; Berthet, Jean-Claude; Pedersen, Andreas; Jónsson, Hannes; Henkelman, Graeme
2014-07-01
The EON software is designed for simulations of the state-to-state evolution of atomic scale systems over timescales greatly exceeding that of direct classical dynamics. States are defined as collections of atomic configurations from which a minimization of the potential energy gives the same inherent structure. The time evolution is assumed to be governed by rare events, where transitions between states are uncorrelated and infrequent compared with the timescale of atomic vibrations. Several methods for calculating the state-to-state evolution have been implemented in EON, including parallel replica dynamics, hyperdynamics and adaptive kinetic Monte Carlo. Global optimization methods, including simulated annealing, basin hopping and minima hopping are also implemented. The software has a client/server architecture where the computationally intensive evaluations of the interatomic interactions are calculated on the client-side and the state-to-state evolution is managed by the server. The client supports optimization for different computer architectures to maximize computational efficiency. The server is written in Python so that developers have access to the high-level functionality without delving into the computationally intensive components. Communication between the server and clients is abstracted so that calculations can be deployed on a single machine, clusters using a queuing system, large parallel computers using a message passing interface, or within a distributed computing environment. A generic interface to the evaluation of the interatomic interactions is defined so that empirical potentials, such as in LAMMPS, and density functional theory as implemented in VASP and GPAW can be used interchangeably. Examples are given to demonstrate the range of systems that can be modeled, including surface diffusion and island ripening of adsorbed atoms on metal surfaces, molecular diffusion on the surface of ice and global structural optimization of nanoparticles.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hasenkamp, Daren; Sim, Alexander; Wehner, Michael
Extensive computing power has been used to tackle issues such as climate changes, fusion energy, and other pressing scientific challenges. These computations produce a tremendous amount of data; however, many of the data analysis programs currently only run a single processor. In this work, we explore the possibility of using the emerging cloud computing platform to parallelize such sequential data analysis tasks. As a proof of concept, we wrap a program for analyzing trends of tropical cyclones in a set of virtual machines (VMs). This approach allows the user to keep their familiar data analysis environment in the VMs, whilemore » we provide the coordination and data transfer services to ensure the necessary input and output are directed to the desired locations. This work extensively exercises the networking capability of the cloud computing systems and has revealed a number of weaknesses in the current cloud system software. In our tests, we are able to scale the parallel data analysis job to a modest number of VMs and achieve a speedup that is comparable to running the same analysis task using MPI. However, compared to MPI based parallelization, the cloud-based approach has a number of advantages. The cloud-based approach is more flexible because the VMs can capture arbitrary software dependencies without requiring the user to rewrite their programs. The cloud-based approach is also more resilient to failure; as long as a single VM is running, it can make progress while as soon as one MPI node fails the whole analysis job fails. In short, this initial work demonstrates that a cloud computing system is a viable platform for distributed scientific data analyses traditionally conducted on dedicated supercomputing systems.« less
NASA Astrophysics Data System (ADS)
Strayer, Michael
2009-07-01
Welcome to San Diego and the 2009 SciDAC conference. Over the next four days, I would like to present an assessment of the SciDAC program. We will look at where we've been, how we got to where we are and where we are going in the future. Our vision is to be first in computational science, to be best in class in modeling and simulation. When Ray Orbach asked me what I would do, in my job interview for the SciDAC Director position, I said we would achieve that vision. And with our collective dedicated efforts, we have managed to achieve this vision. In the last year, we have now the most powerful supercomputer for open science, Jaguar, the Cray XT system at the Oak Ridge Leadership Computing Facility (OLCF). We also have NERSC, probably the best-in-the-world program for productivity in science that the Office of Science so depends on. And the Argonne Leadership Computing Facility offers architectural diversity with its IBM Blue Gene/P system as a counterbalance to Oak Ridge. There is also ESnet, which is often understated—the 40 gigabit per second dual backbone ring that connects all the labs and many DOE sites. In the President's Recovery Act funding, there is exciting news that ESnet is going to build out to a 100 gigabit per second network using new optical technologies. This is very exciting news for simulations and large-scale scientific facilities. But as one noted SciDAC luminary said, it's not all about the computers—it's also about the science—and we are also achieving our vision in this area. Together with having the fastest supercomputer for science, at the SC08 conference, SciDAC researchers won two ACM Gordon Bell Prizes for the outstanding performance of their applications. The DCA++ code, which solves some very interesting problems in materials, achieved a sustained performance of 1.3 petaflops, an astounding result and a mark I suspect will last for some time. The LS3DF application for studying nanomaterials also required the development of a new and novel algorithm to produce results up to 400 times faster than a similar application, and was recognized with a prize for algorithm innovation—a remarkable achievement. Day one of our conference will include examples of petascale science enabled at the OLCF. Although Jaguar has not been officially commissioned, it has gone through its acceptance tests, and during its shakedown phase there have been pioneer applications used for the acceptance tests, and they are running at scale. These include applications in the areas of astrophysics, biology, chemistry, combustion, fusion, geosciences, materials science, nuclear energy and nuclear physics. We also have a whole compendium of science we do at our facilities; these have been documented and reviewed at our last SciDAC conference. Many of these were highlighted in our Breakthroughs Report. One session at this week's conference will feature a cross-section of these breakthroughs. In the area of scalable electromagnetic simulations, the Auxiliary-space Maxwell Solver (AMS) uses specialized finite element discretizations and multigrid-based techniques, which decompose the original problem into easier-to-solve subproblems. Congratulations to the mathematicians on this. Another application on the list of breakthroughs was the authentication of PETSc, which provides scalable solvers used in many DOE applications and has solved problems with over 3 billion unknowns and scaled to over 16,000 processors on DOE leadership-class computers. This is becoming a very versatile and useful toolkit to achieve performance at scale. With the announcement of SIAM's first class of Fellows, we are remarkably well represented. Of the group of 191, more than 40 of these Fellows are in the 'DOE space.' We are so delighted that SIAM has recognized them for their many achievements. In the coming months, we will illustrate our leadership in applied math and computer science by looking at our contributions in the areas of programming models, development and performance tools, math libraries, system software, collaboration, and visualization and data analytics. This is a large and diverse list of libraries. We have asked for two panels, one chaired by David Keyes and composed of many of the nation's leading mathematicians, to produce a report on the most significant accomplishments in applied mathematics over the last eight years, taking us back to the start of the SciDAC program. In addition, we have a similar panel in computer science to be chaired by Kathy Yelick. They are going to identify the computer science accomplishments of the past eight years. These accomplishments are difficult to get a handle on, and I'm looking forward to this report. We will also have a follow-on to our report on breakthroughs in computational science and this will also go back eight years, looking at the many accomplishments under the SciDAC and INCITE programs. This will be chaired by Tony Mezzacappa. So, where are we going in the SciDAC program? It might help to take a look at computational science and how it got started. I go back to Ken Wilson, who made the model and has written on computational science and computational science education. His model was thus: The computational scientist plays the role of the experimentalist, and the math and CS researchers play the role of theorists, and the computers themselves are the experimental apparatus. And that in simulation science, we are carrying out numerical experiments as to the nature of physical and biological sciences. Peter Lax, in the same time frame, developed a report on large-scale computing in science and engineering. Peter remarked, 'Perhaps the most important applications of scientific computing come not in the solution of old problems, but in the discovery of new phenomena through numerical experimentation.' And in the early years, I think the person who provided the most guidance, the most innovation and the most vision for where the future might lie was Ed Oliver. Ed Oliver died last year. Ed did a number of things in science. He had this personality where he knew exactly what to do, but he preferred to stay out of the limelight so that others could enjoy the fruits of his vision. We in the SciDAC program and ASCR Facilities are still enjoying the benefits of his vision. We will miss him. Twenty years after Ken Wilson, Ray Orbach laid out the fundamental premise for SciDAC in an interview that appeared in SciDAC Review: 'SciDAC is unique in the world. There isn't any other program like it anywhere else, and it has the remarkable ability to do science by bringing together physical scientists, mathematicians, applied mathematicians, and computer scientists who recognize that computation is not something you do at the end, but rather it needs to be built into the solution of the very problem that one is addressing. ' As you look at the Lax report from 1982, it talks about how 'Future significant improvements may have to come from architectures embodying parallel processing elements—perhaps several thousands of processors.' And it continues, 'esearch in languages, algorithms and numerical analysis will be crucial in learning to exploit these new architectures fully.' In the early '90s, Sterling, Messina and Smith developed a workshop report on petascale computing and concluded, 'A petaflops computer system will be feasible in two decades, or less, and rely in part on the continual advancement of the semiconductor industry both in speed enhancement and cost reduction through improved fabrication processes.' So they were not wrong, and today we are embarking on a forward look that is at a different scale, the exascale, going to 1018 flops. In 2007, Stevens, Simon and Zacharia chaired a series of town hall meetings looking at exascale computing, and in their report wrote, 'Exascale computer systems are expected to be technologically feasible within the next 15 years, or perhaps sooner. These systems will push the envelope in a number of important technologies: processor architecture, scale of multicore integration, power management and packaging.' The concept of computing on the Jaguar computer involves hundreds of thousands of cores, as do the IBM systems that are currently out there. So the scale of computing with systems with billions of processors is staggering to me, and I don't know how the software and math folks feel about it. We have now embarked on a road toward extreme scale computing. We have created a series of town hall meetings and we are now in the process of holding workshops that address what I call within the DOE speak 'the mission need,' or what is the scientific justification for computing at that scale. We are going to have a total of 13 workshops. The workshops on climate, high energy physics, nuclear physics, fusion, and nuclear energy have been held. The report from the workshop on climate is actually out and available, and the other reports are being completed. The upcoming workshops are on biology, materials, and chemistry; and workshops that engage science for nuclear security are a partnership between NNSA and ASCR. There are additional workshops on applied math, computer science, and architecture that are needed for computing at the exascale. These extreme scale workshops will provide the foundation in our office, the Office of Science, the NNSA and DOE, and we will engage the National Science Foundation and the Department of Defense as partners. We envision a 10-year program for an exascale initiative. It will be an integrated R&D program initially—you can think about five years for research and development—that would be in hardware, operating systems, file systems, networking and so on, as well as software for applications. Application software and the operating system and the hardware all need to be bundled in this period so that at the end the system will execute the science applications at scale. We also believe that this process will have to have considerable investment from the manufacturers and vendors to be successful. We have formed laboratory, university and industry working groups to start this process and formed a panel to look at where SciDAC needs to go to compute at the extreme scale, and we have formed an executive committee within the Office of Science and the NNSA to focus on these activities. We will have outreach to DoD in the next few months. We are anticipating a solicitation within the next two years in which we will compete this bundled R&D process. We don't know how we will incorporate SciDAC into extreme scale computing, but we do know there will be many challenges. And as we have shown over the years, we have the expertise and determination to surmount these challenges.
Silicon photonics for high-performance interconnection networks
NASA Astrophysics Data System (ADS)
Biberman, Aleksandr
2011-12-01
We assert in the course of this work that silicon photonics has the potential to be a key disruptive technology in computing and communication industries. The enduring pursuit of performance gains in computing, combined with stringent power constraints, has fostered the ever-growing computational parallelism associated with chip multiprocessors, memory systems, high-performance computing systems, and data centers. Sustaining these parallelism growths introduces unique challenges for on- and off-chip communications, shifting the focus toward novel and fundamentally different communication approaches. This work showcases that chip-scale photonic interconnection networks, enabled by high-performance silicon photonic devices, enable unprecedented bandwidth scalability with reduced power consumption. We demonstrate that the silicon photonic platforms have already produced all the high-performance photonic devices required to realize these types of networks. Through extensive empirical characterization in much of this work, we demonstrate such feasibility of waveguides, modulators, switches, and photodetectors. We also demonstrate systems that simultaneously combine many functionalities to achieve more complex building blocks. Furthermore, we leverage the unique properties of available silicon photonic materials to create novel silicon photonic devices, subsystems, network topologies, and architectures to enable unprecedented performance of these photonic interconnection networks and computing systems. We show that the advantages of photonic interconnection networks extend far beyond the chip, offering advanced communication environments for memory systems, high-performance computing systems, and data centers. Furthermore, we explore the immense potential of all-optical functionalities implemented using parametric processing in the silicon platform, demonstrating unique methods that have the ability to revolutionize computation and communication. Silicon photonics enables new sets of opportunities that we can leverage for performance gains, as well as new sets of challenges that we must solve. Leveraging its inherent compatibility with standard fabrication techniques of the semiconductor industry, combined with its capability of dense integration with advanced microelectronics, silicon photonics also offers a clear path toward commercialization through low-cost mass-volume production. Combining empirical validations of feasibility, demonstrations of massive performance gains in large-scale systems, and the potential for commercial penetration of silicon photonics, the impact of this work will become evident in the many decades that follow.
Multiscale turbulence models based on convected fluid microstructure
NASA Astrophysics Data System (ADS)
Holm, Darryl D.; Tronci, Cesare
2012-11-01
The Euler-Poincaré approach to complex fluids is used to derive multiscale equations for computationally modeling Euler flows as a basis for modeling turbulence. The model is based on a kinematic sweeping ansatz (KSA) which assumes that the mean fluid flow serves as a Lagrangian frame of motion for the fluctuation dynamics. Thus, we regard the motion of a fluid parcel on the computationally resolvable length scales as a moving Lagrange coordinate for the fluctuating (zero-mean) motion of fluid parcels at the unresolved scales. Even in the simplest two-scale version on which we concentrate here, the contributions of the fluctuating motion under the KSA to the mean motion yields a system of equations that extends known results and appears to be suitable for modeling nonlinear backscatter (energy transfer from smaller to larger scales) in turbulence using multiscale methods.
Large-scale structural optimization
NASA Technical Reports Server (NTRS)
Sobieszczanski-Sobieski, J.
1983-01-01
Problems encountered by aerospace designers in attempting to optimize whole aircraft are discussed, along with possible solutions. Large scale optimization, as opposed to component-by-component optimization, is hindered by computational costs, software inflexibility, concentration on a single, rather than trade-off, design methodology and the incompatibility of large-scale optimization with single program, single computer methods. The software problem can be approached by placing the full analysis outside of the optimization loop. Full analysis is then performed only periodically. Problem-dependent software can be removed from the generic code using a systems programming technique, and then embody the definitions of design variables, objective function and design constraints. Trade-off algorithms can be used at the design points to obtain quantitative answers. Finally, decomposing the large-scale problem into independent subproblems allows systematic optimization of the problems by an organization of people and machines.
NASA Astrophysics Data System (ADS)
Konduri, Aditya
Many natural and engineering systems are governed by nonlinear partial differential equations (PDEs) which result in a multiscale phenomena, e.g. turbulent flows. Numerical simulations of these problems are computationally very expensive and demand for extreme levels of parallelism. At realistic conditions, simulations are being carried out on massively parallel computers with hundreds of thousands of processing elements (PEs). It has been observed that communication between PEs as well as their synchronization at these extreme scales take up a significant portion of the total simulation time and result in poor scalability of codes. This issue is likely to pose a bottleneck in scalability of codes on future Exascale systems. In this work, we propose an asynchronous computing algorithm based on widely used finite difference methods to solve PDEs in which synchronization between PEs due to communication is relaxed at a mathematical level. We show that while stability is conserved when schemes are used asynchronously, accuracy is greatly degraded. Since message arrivals at PEs are random processes, so is the behavior of the error. We propose a new statistical framework in which we show that average errors drop always to first-order regardless of the original scheme. We propose new asynchrony-tolerant schemes that maintain accuracy when synchronization is relaxed. The quality of the solution is shown to depend, not only on the physical phenomena and numerical schemes, but also on the characteristics of the computing machine. A novel algorithm using remote memory access communications has been developed to demonstrate excellent scalability of the method for large-scale computing. Finally, we present a path to extend this method in solving complex multi-scale problems on Exascale machines.
Material point method modeling in oil and gas reservoirs
Vanderheyden, William Brian; Zhang, Duan
2016-06-28
A computer system and method of simulating the behavior of an oil and gas reservoir including changes in the margins of frangible solids. A system of equations including state equations such as momentum, and conservation laws such as mass conservation and volume fraction continuity, are defined and discretized for at least two phases in a modeled volume, one of which corresponds to frangible material. A material point model technique for numerically solving the system of discretized equations, to derive fluid flow at each of a plurality of mesh nodes in the modeled volume, and the velocity of at each of a plurality of particles representing the frangible material in the modeled volume. A time-splitting technique improves the computational efficiency of the simulation while maintaining accuracy on the deformation scale. The method can be applied to derive accurate upscaled model equations for larger volume scale simulations.
Making automated computer program documentation a feature of total system design
NASA Technical Reports Server (NTRS)
Wolf, A. W.
1970-01-01
It is pointed out that in large-scale computer software systems, program documents are too often fraught with errors, out of date, poorly written, and sometimes nonexistent in whole or in part. The means are described by which many of these typical system documentation problems were overcome in a large and dynamic software project. A systems approach was employed which encompassed such items as: (1) configuration management; (2) standards and conventions; (3) collection of program information into central data banks; (4) interaction among executive, compiler, central data banks, and configuration management; and (5) automatic documentation. A complete description of the overall system is given.
Requirements for migration of NSSD code systems from LTSS to NLTSS
NASA Technical Reports Server (NTRS)
Pratt, M.
1984-01-01
The purpose of this document is to address the requirements necessary for a successful conversion of the Nuclear Design (ND) application code systems to the NLTSS environment. The ND application code system community can be characterized as large-scale scientific computation carried out on supercomputers. NLTSS is a distributed operating system being developed at LLNL to replace the LTSS system currently in use. The implications of change are examined including a description of the computational environment and users in ND. The discussion then turns to requirements, first in a general way, followed by specific requirements, including a proposal for managing the transition.
Palmer, T. N.
2014-01-01
This paper sets out a new methodological approach to solving the equations for simulating and predicting weather and climate. In this approach, the conventionally hard boundary between the dynamical core and the sub-grid parametrizations is blurred. This approach is motivated by the relatively shallow power-law spectrum for atmospheric energy on scales of hundreds of kilometres and less. It is first argued that, because of this, the closure schemes for weather and climate simulators should be based on stochastic–dynamic systems rather than deterministic formulae. Second, as high-wavenumber elements of the dynamical core will necessarily inherit this stochasticity during time integration, it is argued that the dynamical core will be significantly over-engineered if all computations, regardless of scale, are performed completely deterministically and if all variables are represented with maximum numerical precision (in practice using double-precision floating-point numbers). As the era of exascale computing is approached, an energy- and computationally efficient approach to cloud-resolved weather and climate simulation is described where determinism and numerical precision are focused on the largest scales only. PMID:24842038
Palmer, T N
2014-06-28
This paper sets out a new methodological approach to solving the equations for simulating and predicting weather and climate. In this approach, the conventionally hard boundary between the dynamical core and the sub-grid parametrizations is blurred. This approach is motivated by the relatively shallow power-law spectrum for atmospheric energy on scales of hundreds of kilometres and less. It is first argued that, because of this, the closure schemes for weather and climate simulators should be based on stochastic-dynamic systems rather than deterministic formulae. Second, as high-wavenumber elements of the dynamical core will necessarily inherit this stochasticity during time integration, it is argued that the dynamical core will be significantly over-engineered if all computations, regardless of scale, are performed completely deterministically and if all variables are represented with maximum numerical precision (in practice using double-precision floating-point numbers). As the era of exascale computing is approached, an energy- and computationally efficient approach to cloud-resolved weather and climate simulation is described where determinism and numerical precision are focused on the largest scales only.
Enhanced Graphics for Extended Scale Range
NASA Technical Reports Server (NTRS)
Hanson, Andrew J.; Chi-Wing Fu, Philip
2012-01-01
Enhanced Graphics for Extended Scale Range is a computer program for rendering fly-through views of scene models that include visible objects differing in size by large orders of magnitude. An example would be a scene showing a person in a park at night with the moon, stars, and galaxies in the background sky. Prior graphical computer programs exhibit arithmetic and other anomalies when rendering scenes containing objects that differ enormously in scale and distance from the viewer. The present program dynamically repartitions distance scales of objects in a scene during rendering to eliminate almost all such anomalies in a way compatible with implementation in other software and in hardware accelerators. By assigning depth ranges correspond ing to rendering precision requirements, either automatically or under program control, this program spaces out object scales to match the precision requirements of the rendering arithmetic. This action includes an intelligent partition of the depth buffer ranges to avoid known anomalies from this source. The program is written in C++, using OpenGL, GLUT, and GLUI standard libraries, and nVidia GEForce Vertex Shader extensions. The program has been shown to work on several computers running UNIX and Windows operating systems.
NASA Astrophysics Data System (ADS)
Myre, Joseph M.
Heterogeneous computing systems have recently come to the forefront of the High-Performance Computing (HPC) community's interest. HPC computer systems that incorporate special purpose accelerators, such as Graphics Processing Units (GPUs), are said to be heterogeneous. Large scale heterogeneous computing systems have consistently ranked highly on the Top500 list since the beginning of the heterogeneous computing trend. By using heterogeneous computing systems that consist of both general purpose processors and special- purpose accelerators, the speed and problem size of many simulations could be dramatically increased. Ultimately this results in enhanced simulation capabilities that allows, in some cases for the first time, the execution of parameter space and uncertainty analyses, model optimizations, and other inverse modeling techniques that are critical for scientific discovery and engineering analysis. However, simplifying the usage and optimization of codes for heterogeneous computing systems remains a challenge. This is particularly true for scientists and engineers for whom understanding HPC architectures and undertaking performance analysis may not be primary research objectives. To enable scientists and engineers to remain focused on their primary research objectives, a modular environment for geophysical inversion and run-time autotuning on heterogeneous computing systems is presented. This environment is composed of three major components: 1) CUSH---a framework for reducing the complexity of programming heterogeneous computer systems, 2) geophysical inversion routines which can be used to characterize physical systems, and 3) run-time autotuning routines designed to determine configurations of heterogeneous computing systems in an attempt to maximize the performance of scientific and engineering codes. Using three case studies, a lattice-Boltzmann method, a non-negative least squares inversion, and a finite-difference fluid flow method, it is shown that this environment provides scientists and engineers with means to reduce the programmatic complexity of their applications, to perform geophysical inversions for characterizing physical systems, and to determine high-performing run-time configurations of heterogeneous computing systems using a run-time autotuner.
Thermal and fluid-dynamics behavior of circulating systems in the case of pressure relief
NASA Astrophysics Data System (ADS)
Moeller, L.
Aspects of safety in the case of large-scale installations with operational high-pressure conditions must be an important consideration already during the design of such installations, taking into account all conceivable disturbances. Within an analysis of such disturbances, studies related to pressure relief processes will have to occupy a central position. For such studies, it is convenient to combine experiments involving small-scale models of the actual installation with suitable computational programs. The experiments can be carried out at lower pressures and temperatures if the actual fluid is replaced by another medium, such as, for instance, a refrigerant. This approach has been used in the present investigation. The obtained experimental data are employed as a basis for a verification of the results provided by the computational model 'Frelap-UK' which has been expressly developed for the analysis of system behavior in the case of pressure relief. It is found that the computer fluid-dynamics characteristics agree with the experimental results.
DENA: A Configurable Microarchitecture and Design Flow for Biomedical DNA-Based Logic Design.
Beiki, Zohre; Jahanian, Ali
2017-10-01
DNA is known as the building block for storing the life codes and transferring the genetic features through the generations. However, it is found that DNA strands can be used for a new type of computation that opens fascinating horizons in computational medicine. Significant contributions are addressed on design of DNA-based logic gates for medical and computational applications but there are serious challenges for designing the medium and large-scale DNA circuits. In this paper, a new microarchitecture and corresponding design flow is proposed to facilitate the design of multistage large-scale DNA logic systems. Feasibility and efficiency of the proposed microarchitecture are evaluated by implementing a full adder and, then, its cascadability is determined by implementing a multistage 8-bit adder. Simulation results show the highlight features of the proposed design style and microarchitecture in terms of the scalability, implementation cost, and signal integrity of the DNA-based logic system compared to the traditional approaches.
NASA Astrophysics Data System (ADS)
Bonacorsi, D.; Gutsche, O.
The Worldwide LHC Computing Grid (WLCG) project decided in March 2009 to perform scale tests of parts of its overall Grid infrastructure before the start of the LHC data taking. The "Scale Test for the Experiment Program" (STEP'09) was performed mainly in June 2009 -with more selected tests in September- October 2009 -and emphasized the simultaneous test of the computing systems of all 4 LHC experiments. CMS tested its Tier-0 tape writing and processing capabilities. The Tier-1 tape systems were stress tested using the complete range of Tier-1 work-flows: transfer from Tier-0 and custody of data on tape, processing and subsequent archival, redistribution of datasets amongst all Tier-1 sites as well as burst transfers of datasets to Tier-2 sites. The Tier-2 analysis capacity was tested using bulk analysis job submissions to backfill normal user activity. In this talk, we will report on the different performed tests and present their post-mortem analysis.
Improved Quasi-Newton method via PSB update for solving systems of nonlinear equations
NASA Astrophysics Data System (ADS)
Mamat, Mustafa; Dauda, M. K.; Waziri, M. Y.; Ahmad, Fadhilah; Mohamad, Fatma Susilawati
2016-10-01
The Newton method has some shortcomings which includes computation of the Jacobian matrix which may be difficult or even impossible to compute and solving the Newton system in every iteration. Also, the common setback with some quasi-Newton methods is that they need to compute and store an n × n matrix at each iteration, this is computationally costly for large scale problems. To overcome such drawbacks, an improved Method for solving systems of nonlinear equations via PSB (Powell-Symmetric-Broyden) update is proposed. In the proposed method, the approximate Jacobian inverse Hk of PSB is updated and its efficiency has improved thereby require low memory storage, hence the main aim of this paper. The preliminary numerical results show that the proposed method is practically efficient when applied on some benchmark problems.
Hyperswitch communication network
NASA Technical Reports Server (NTRS)
Peterson, J.; Pniel, M.; Upchurch, E.
1991-01-01
The Hyperswitch Communication Network (HCN) is a large scale parallel computer prototype being developed at JPL. Commercial versions of the HCN computer are planned. The HCN computer being designed is a message passing multiple instruction multiple data (MIMD) computer, and offers many advantages in price-performance ratio, reliability and availability, and manufacturing over traditional uniprocessors and bus based multiprocessors. The design of the HCN operating system is a uniquely flexible environment that combines both parallel processing and distributed processing. This programming paradigm can achieve a balance among the following competing factors: performance in processing and communications, user friendliness, and fault tolerance. The prototype is being designed to accommodate a maximum of 64 state of the art microprocessors. The HCN is classified as a distributed supercomputer. The HCN system is described, and the performance/cost analysis and other competing factors within the system design are reviewed.
An economy of scale system's mensuration of large spacecraft
NASA Technical Reports Server (NTRS)
Deryder, L. J.
1981-01-01
The systems technology and cost particulars of using multipurpose platforms versus several sizes of bus type free flyer spacecraft to accomplish the same space experiment missions. Computer models of these spacecraft bus designs were created to obtain data relative to size, weight, power, performance, and cost. To answer the question of whether or not large scale does produce economy, the dominant cost factors were determined and the programmatic effect on individual experiment costs were evaluated.
Graph-based linear scaling electronic structure theory.
Niklasson, Anders M N; Mniszewski, Susan M; Negre, Christian F A; Cawkwell, Marc J; Swart, Pieter J; Mohd-Yusof, Jamal; Germann, Timothy C; Wall, Michael E; Bock, Nicolas; Rubensson, Emanuel H; Djidjev, Hristo
2016-06-21
We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.
Graph-based linear scaling electronic structure theory
DOE Office of Scientific and Technical Information (OSTI.GOV)
Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.
2016-06-21
We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.
Supporting large scale applications on networks of workstations
NASA Technical Reports Server (NTRS)
Cooper, Robert; Birman, Kenneth P.
1989-01-01
Distributed applications on networks of workstations are an increasingly common way to satisfy computing needs. However, existing mechanisms for distributed programming exhibit poor performance and reliability as application size increases. Extension of the ISIS distributed programming system to support large scale distributed applications by providing hierarchical process groups is discussed. Incorporation of hierarchy in the program structure and exploitation of this to limit the communication and storage required in any one component of the distributed system is examined.
Spatial correlation of the dynamic propensity of a glass-forming liquid
NASA Astrophysics Data System (ADS)
Razul, M. Shajahan G.; Matharoo, Gurpreet S.; Poole, Peter H.
2011-06-01
We present computer simulation results on the dynamic propensity (as defined by Widmer-Cooper et al 2004 Phys. Rev. Lett. 93 135701) in a Kob-Andersen binary Lennard-Jones liquid system consisting of 8788 particles. We compute the spatial correlation function for the dynamic propensity as a function of both the reduced temperature T, and the time scale on which the particle displacements are measured. For T <= 0.6, we find that non-zero correlations occur at the largest length scale accessible in our system. We also show that a cluster-size analysis of particles with extremal values of the dynamic propensity, as well as 3D visualizations, reveal spatially correlated regions that approach the size of our system as T decreases, consistently with the behavior of the spatial correlation function. Next, we define and examine the 'coordination propensity', the isoconfigurational average of the coordination number of the minority B particles around the majority A particles. We show that a significant correlation exists between the spatial fluctuations of the dynamic and coordination propensities. In addition, we find non-zero correlations of the coordination propensity occurring at the largest length scale accessible in our system for all T in the range 0.466 < T < 1.0. We discuss the implications of these results for understanding the length scales of dynamical heterogeneity in glass-forming liquids.
Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg
2017-05-09
A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.
Parallel Scaling Characteristics of Selected NERSC User ProjectCodes
DOE Office of Scientific and Technical Information (OSTI.GOV)
Skinner, David; Verdier, Francesca; Anand, Harsh
This report documents parallel scaling characteristics of NERSC user project codes between Fiscal Year 2003 and the first half of Fiscal Year 2004 (Oct 2002-March 2004). The codes analyzed cover 60% of all the CPU hours delivered during that time frame on seaborg, a 6080 CPU IBM SP and the largest parallel computer at NERSC. The scale in terms of concurrency and problem size of the workload is analyzed. Drawing on batch queue logs, performance data and feedback from researchers we detail the motivations, benefits, and challenges of implementing highly parallel scientific codes on current NERSC High Performance Computing systems.more » An evaluation and outlook of the NERSC workload for Allocation Year 2005 is presented.« less
Numerical propulsion system simulation
NASA Technical Reports Server (NTRS)
Lytle, John K.; Remaklus, David A.; Nichols, Lester D.
1990-01-01
The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributors to the high cost is the need to perform many large scale system tests. Extensive testing is used to capture the complex interactions among the multiple disciplines and the multiple components inherent in complex systems. The objective of the Numerical Propulsion System Simulation (NPSS) is to provide insight into these complex interactions through computational simulations. This will allow for comprehensive evaluation of new concepts early in the design phase before a commitment to hardware is made. It will also allow for rapid assessment of field-related problems, particularly in cases where operational problems were encountered during conditions that would be difficult to simulate experimentally. The tremendous progress taking place in computational engineering and the rapid increase in computing power expected through parallel processing make this concept feasible within the near future. However it is critical that the framework for such simulations be put in place now to serve as a focal point for the continued developments in computational engineering and computing hardware and software. The NPSS concept which is described will provide that framework.
NASA Technical Reports Server (NTRS)
Denning, P. J.; Adams, G. B., III; Brown, R. L.; Kanerva, P.; Leiner, B. M.; Raugh, M. R.
1986-01-01
Large, complex computer systems require many years of development. It is recognized that large scale systems are unlikely to be delivered in useful condition unless users are intimately involved throughout the design process. A mechanism is described that will involve users in the design of advanced computing systems and will accelerate the insertion of new systems into scientific research. This mechanism is embodied in a facility called the Center for Advanced Architectures (CAA). CAA would be a division of RIACS (Research Institute for Advanced Computer Science) and would receive its technical direction from a Scientific Advisory Board established by RIACS. The CAA described here is a possible implementation of a center envisaged in a proposed cooperation between NASA and DARPA.
Large-scale exact diagonalizations reveal low-momentum scales of nuclei
NASA Astrophysics Data System (ADS)
Forssén, C.; Carlsson, B. D.; Johansson, H. T.; Sääf, D.; Bansal, A.; Hagen, G.; Papenbrock, T.
2018-03-01
Ab initio methods aim to solve the nuclear many-body problem with controlled approximations. Virtually exact numerical solutions for realistic interactions can only be obtained for certain special cases such as few-nucleon systems. Here we extend the reach of exact diagonalization methods to handle model spaces with dimension exceeding 1010 on a single compute node. This allows us to perform no-core shell model (NCSM) calculations for 6Li in model spaces up to Nmax=22 and to reveal the 4He+d halo structure of this nucleus. Still, the use of a finite harmonic-oscillator basis implies truncations in both infrared (IR) and ultraviolet (UV) length scales. These truncations impose finite-size corrections on observables computed in this basis. We perform IR extrapolations of energies and radii computed in the NCSM and with the coupled-cluster method at several fixed UV cutoffs. It is shown that this strategy enables information gain also from data that is not fully UV converged. IR extrapolations improve the accuracy of relevant bound-state observables for a range of UV cutoffs, thus making them profitable tools. We relate the momentum scale that governs the exponential IR convergence to the threshold energy for the first open decay channel. Using large-scale NCSM calculations we numerically verify this small-momentum scale of finite nuclei.
eScience for molecular-scale simulations and the eMinerals project.
Salje, E K H; Artacho, E; Austen, K F; Bruin, R P; Calleja, M; Chappell, H F; Chiang, G-T; Dove, M T; Frame, I; Goodwin, A L; Kleese van Dam, K; Marmier, A; Parker, S C; Pruneda, J M; Todorov, I T; Trachenko, K; Tyer, R P; Walker, A M; White, T O H
2009-03-13
We review the work carried out within the eMinerals project to develop eScience solutions that facilitate a new generation of molecular-scale simulation work. Technological developments include integration of compute and data systems, developing of collaborative frameworks and new researcher-friendly tools for grid job submission, XML data representation, information delivery, metadata harvesting and metadata management. A number of diverse science applications will illustrate how these tools are being used for large parameter-sweep studies, an emerging type of study for which the integration of computing, data and collaboration is essential.
Peer-to-peer architectures for exascale computing : LDRD final report.
DOE Office of Scientific and Technical Information (OSTI.GOV)
Vorobeychik, Yevgeniy; Mayo, Jackson R.; Minnich, Ronald G.
2010-09-01
The goal of this research was to investigate the potential for employing dynamic, decentralized software architectures to achieve reliability in future high-performance computing platforms. These architectures, inspired by peer-to-peer networks such as botnets that already scale to millions of unreliable nodes, hold promise for enabling scientific applications to run usefully on next-generation exascale platforms ({approx} 10{sup 18} operations per second). Traditional parallel programming techniques suffer rapid deterioration of performance scaling with growing platform size, as the work of coping with increasingly frequent failures dominates over useful computation. Our studies suggest that new architectures, in which failures are treated as ubiquitousmore » and their effects are considered as simply another controllable source of error in a scientific computation, can remove such obstacles to exascale computing for certain applications. We have developed a simulation framework, as well as a preliminary implementation in a large-scale emulation environment, for exploration of these 'fault-oblivious computing' approaches. High-performance computing (HPC) faces a fundamental problem of increasing total component failure rates due to increasing system sizes, which threaten to degrade system reliability to an unusable level by the time the exascale range is reached ({approx} 10{sup 18} operations per second, requiring of order millions of processors). As computer scientists seek a way to scale system software for next-generation exascale machines, it is worth considering peer-to-peer (P2P) architectures that are already capable of supporting 10{sup 6}-10{sup 7} unreliable nodes. Exascale platforms will require a different way of looking at systems and software because the machine will likely not be available in its entirety for a meaningful execution time. Realistic estimates of failure rates range from a few times per day to more than once per hour for these platforms. P2P architectures give us a starting point for crafting applications and system software for exascale. In the context of the Internet, P2P applications (e.g., file sharing, botnets) have already solved this problem for 10{sup 6}-10{sup 7} nodes. Usually based on a fractal distributed hash table structure, these systems have proven robust in practice to constant and unpredictable outages, failures, and even subversion. For example, a recent estimate of botnet turnover (i.e., the number of machines leaving and joining) is about 11% per week. Nonetheless, P2P networks remain effective despite these failures: The Conficker botnet has grown to {approx} 5 x 10{sup 6} peers. Unlike today's system software and applications, those for next-generation exascale machines cannot assume a static structure and, to be scalable over millions of nodes, must be decentralized. P2P architectures achieve both, and provide a promising model for 'fault-oblivious computing'. This project aimed to study the dynamics of P2P networks in the context of a design for exascale systems and applications. Having no single point of failure, the most successful P2P architectures are adaptive and self-organizing. While there has been some previous work applying P2P to message passing, little attention has been previously paid to the tightly coupled exascale domain. Typically, the per-node footprint of P2P systems is small, making them ideal for HPC use. The implementation on each peer node cooperates en masse to 'heal' disruptions rather than relying on a controlling 'master' node. Understanding this cooperative behavior from a complex systems viewpoint is essential to predicting useful environments for the inextricably unreliable exascale platforms of the future. We sought to obtain theoretical insight into the stability and large-scale behavior of candidate architectures, and to work toward leveraging Sandia's Emulytics platform to test promising candidates in a realistic (ultimately {ge} 10{sup 7} nodes) setting. Our primary example applications are drawn from linear algebra: a Jacobi relaxation solver for the heat equation, and the closely related technique of value iteration in optimization. We aimed to apply P2P concepts in designing implementations capable of surviving an unreliable machine of 10{sup 6} nodes.« less
An intermediate-scale model for thermal hydrology in low-relief permafrost-affected landscapes
Jan, Ahmad; Coon, Ethan T.; Painter, Scott L.; ...
2017-07-10
Integrated surface/subsurface models for simulating the thermal hydrology of permafrost-affected regions in a warming climate have recently become available, but computational demands of those new process-rich simu- lation tools have thus far limited their applications to one-dimensional or small two-dimensional simulations. We present a mixed-dimensional model structure for efficiently simulating surface/subsurface thermal hydrology in low-relief permafrost regions at watershed scales. The approach replaces a full three-dimensional system with a two-dimensional overland thermal hydrology system and a family of one-dimensional vertical columns, where each column represents a fully coupled surface/subsurface thermal hydrology system without lateral flow. The system is then operatormore » split, sequentially updating the overland flow system without sources and the one-dimensional columns without lateral flows. We show that the app- roach is highly scalable, supports subcycling of different processes, and compares well with the corresponding fully three-dimensional representation at significantly less computational cost. Those advances enable recently developed representations of freezing soil physics to be coupled with thermal overland flow and surface energy balance at scales of 100s of meters. Furthermore developed and demonstrated for permafrost thermal hydrology, the mixed-dimensional model structure is applicable to integrated surface/subsurface thermal hydrology in general.« less
Atahan, Ali O; Hiekmann, J Marten; Himpe, Jeffrey; Marra, Joseph
2018-07-01
Road restraint systems are designed to minimize the undesirable effects of roadside accidents and improve safety of road users. These systems are utilized at either side or median section of roads to contain and redirect errant vehicles. Although restraint systems are mainly designed against car, truck and bus impacts there is an increasing pressure by the motorcycle industry to incorporate motorcycle protection systems into these systems. In this paper development details of a new and versatile motorcycle barrier, CMPS, coupled with an existing vehicle barrier is presented. CMPS is intended to safely contain and redirect motorcyclists during a collision event. First, crash performance of CMPS design is evaluated by means of a three dimensional computer simulation program LS-DYNA. Then full-scale crash tests are used to verify the acceptability of CMPS design. Crash tests were performed at CSI proving ground facility using a motorcycle dummy in accordance with prEN 1317-8 specification. Full-scale crash test results show that CMPS is able to successfully contain and redirect dummy with minimal injury risk on the dummy. Damage on the barrier is also minimal proving the robustness of the CMPS design. Based on the test findings and further review by the authorities the implementation of CMPS was recommended at highway system. Copyright © 2017 Elsevier Ltd. All rights reserved.
A multi-scale approach to designing therapeutics for tuberculosis
DOE Office of Scientific and Technical Information (OSTI.GOV)
Linderman, Jennifer J.; Cilfone, Nicholas A.; Pienaar, Elsje
Approximately one third of the world’s population is infected with Mycobacterium tuberculosis. Limited information about how the immune system fights M. tuberculosis and what constitutes protection from the bacteria impact our ability to develop effective therapies for tuberculosis. We present an in vivo systems biology approach that integrates data from multiple model systems and over multiple length and time scales into a comprehensive multi-scale and multi-compartment view of the in vivo immune response to M. tuberculosis. Lastly, we describe computational models that can be used to study (a) immunomodulation with the cytokines tumor necrosis factor and interleukin 10, (b) oralmore » and inhaled antibiotics, and (c) the effect of vaccination.« less
A multi-scale approach to designing therapeutics for tuberculosis
Linderman, Jennifer J.; Cilfone, Nicholas A.; Pienaar, Elsje; ...
2015-04-20
Approximately one third of the world’s population is infected with Mycobacterium tuberculosis. Limited information about how the immune system fights M. tuberculosis and what constitutes protection from the bacteria impact our ability to develop effective therapies for tuberculosis. We present an in vivo systems biology approach that integrates data from multiple model systems and over multiple length and time scales into a comprehensive multi-scale and multi-compartment view of the in vivo immune response to M. tuberculosis. Lastly, we describe computational models that can be used to study (a) immunomodulation with the cytokines tumor necrosis factor and interleukin 10, (b) oralmore » and inhaled antibiotics, and (c) the effect of vaccination.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rearden, Bradley T.; Jessee, Matthew Anderson
The SCALE Code System is a widely-used modeling and simulation suite for nuclear safety analysis and design that is developed, maintained, tested, and managed by the Reactor and Nuclear Systems Division (RNSD) of Oak Ridge National Laboratory (ORNL). SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor and lattice physics, radiation shielding, spent fuel and radioactive source term characterization, and sensitivity and uncertainty analysis. Since 1980, regulators, licensees, and research institutions around the world have used SCALE for safety analysis and design. SCALE provides an integrated framework with dozens of computational modules including three deterministicmore » and three Monte Carlo radiation transport solvers that are selected based on the desired solution strategy. SCALE includes current nuclear data libraries and problem-dependent processing tools for continuous-energy (CE) and multigroup (MG) neutronics and coupled neutron-gamma calculations, as well as activation, depletion, and decay calculations. SCALE includes unique capabilities for automated variance reduction for shielding calculations, as well as sensitivity and uncertainty analysis. SCALE’s graphical user interfaces assist with accurate system modeling, visualization of nuclear data, and convenient access to desired results.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Rearden, Bradley T.; Jessee, Matthew Anderson
The SCALE Code System is a widely-used modeling and simulation suite for nuclear safety analysis and design that is developed, maintained, tested, and managed by the Reactor and Nuclear Systems Division (RNSD) of Oak Ridge National Laboratory (ORNL). SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor and lattice physics, radiation shielding, spent fuel and radioactive source term characterization, and sensitivity and uncertainty analysis. Since 1980, regulators, licensees, and research institutions around the world have used SCALE for safety analysis and design. SCALE provides an integrated framework with dozens of computational modules including three deterministicmore » and three Monte Carlo radiation transport solvers that are selected based on the desired solution strategy. SCALE includes current nuclear data libraries and problem-dependent processing tools for continuous-energy (CE) and multigroup (MG) neutronics and coupled neutron-gamma calculations, as well as activation, depletion, and decay calculations. SCALE includes unique capabilities for automated variance reduction for shielding calculations, as well as sensitivity and uncertainty analysis. SCALE’s graphical user interfaces assist with accurate system modeling, visualization of nuclear data, and convenient access to desired results.« less
Eyben, Florian; Weninger, Felix; Lehment, Nicolas; Schuller, Björn; Rigoll, Gerhard
2013-01-01
Without doubt general video and sound, as found in large multimedia archives, carry emotional information. Thus, audio and video retrieval by certain emotional categories or dimensions could play a central role for tomorrow's intelligent systems, enabling search for movies with a particular mood, computer aided scene and sound design in order to elicit certain emotions in the audience, etc. Yet, the lion's share of research in affective computing is exclusively focusing on signals conveyed by humans, such as affective speech. Uniting the fields of multimedia retrieval and affective computing is believed to lend to a multiplicity of interesting retrieval applications, and at the same time to benefit affective computing research, by moving its methodology "out of the lab" to real-world, diverse data. In this contribution, we address the problem of finding "disturbing" scenes in movies, a scenario that is highly relevant for computer-aided parental guidance. We apply large-scale segmental feature extraction combined with audio-visual classification to the particular task of detecting violence. Our system performs fully data-driven analysis including automatic segmentation. We evaluate the system in terms of mean average precision (MAP) on the official data set of the MediaEval 2012 evaluation campaign's Affect Task, which consists of 18 original Hollywood movies, achieving up to .398 MAP on unseen test data in full realism. An in-depth analysis of the worth of individual features with respect to the target class and the system errors is carried out and reveals the importance of peak-related audio feature extraction and low-level histogram-based video analysis.
Eyben, Florian; Weninger, Felix; Lehment, Nicolas; Schuller, Björn; Rigoll, Gerhard
2013-01-01
Without doubt general video and sound, as found in large multimedia archives, carry emotional information. Thus, audio and video retrieval by certain emotional categories or dimensions could play a central role for tomorrow's intelligent systems, enabling search for movies with a particular mood, computer aided scene and sound design in order to elicit certain emotions in the audience, etc. Yet, the lion's share of research in affective computing is exclusively focusing on signals conveyed by humans, such as affective speech. Uniting the fields of multimedia retrieval and affective computing is believed to lend to a multiplicity of interesting retrieval applications, and at the same time to benefit affective computing research, by moving its methodology “out of the lab” to real-world, diverse data. In this contribution, we address the problem of finding “disturbing” scenes in movies, a scenario that is highly relevant for computer-aided parental guidance. We apply large-scale segmental feature extraction combined with audio-visual classification to the particular task of detecting violence. Our system performs fully data-driven analysis including automatic segmentation. We evaluate the system in terms of mean average precision (MAP) on the official data set of the MediaEval 2012 evaluation campaign's Affect Task, which consists of 18 original Hollywood movies, achieving up to .398 MAP on unseen test data in full realism. An in-depth analysis of the worth of individual features with respect to the target class and the system errors is carried out and reveals the importance of peak-related audio feature extraction and low-level histogram-based video analysis. PMID:24391704
Multiscale mechanobiology: computational models for integrating molecules to multicellular systems
Mak, Michael; Kim, Taeyoon
2015-01-01
Mechanical signals exist throughout the biological landscape. Across all scales, these signals, in the form of force, stiffness, and deformations, are generated and processed, resulting in an active mechanobiological circuit that controls many fundamental aspects of life, from protein unfolding and cytoskeletal remodeling to collective cell motions. The multiple scales and complex feedback involved present a challenge for fully understanding the nature of this circuit, particularly in development and disease in which it has been implicated. Computational models that accurately predict and are based on experimental data enable a means to integrate basic principles and explore fine details of mechanosensing and mechanotransduction in and across all levels of biological systems. Here we review recent advances in these models along with supporting and emerging experimental findings. PMID:26019013
Bao, Shunxing; Weitendorf, Frederick D; Plassard, Andrew J; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A
2017-02-11
The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., "short" processing times and/or "large" datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply "large scale" processing transitions into "big data" and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and non-relevant for medical imaging.
NASA Astrophysics Data System (ADS)
Bao, Shunxing; Weitendorf, Frederick D.; Plassard, Andrew J.; Huo, Yuankai; Gokhale, Aniruddha; Landman, Bennett A.
2017-03-01
The field of big data is generally concerned with the scale of processing at which traditional computational paradigms break down. In medical imaging, traditional large scale processing uses a cluster computer that combines a group of workstation nodes into a functional unit that is controlled by a job scheduler. Typically, a shared-storage network file system (NFS) is used to host imaging data. However, data transfer from storage to processing nodes can saturate network bandwidth when data is frequently uploaded/retrieved from the NFS, e.g., "short" processing times and/or "large" datasets. Recently, an alternative approach using Hadoop and HBase was presented for medical imaging to enable co-location of data storage and computation while minimizing data transfer. The benefits of using such a framework must be formally evaluated against a traditional approach to characterize the point at which simply "large scale" processing transitions into "big data" and necessitates alternative computational frameworks. The proposed Hadoop system was implemented on a production lab-cluster alongside a standard Sun Grid Engine (SGE). Theoretical models for wall-clock time and resource time for both approaches are introduced and validated. To provide real example data, three T1 image archives were retrieved from a university secure, shared web database and used to empirically assess computational performance under three configurations of cluster hardware (using 72, 109, or 209 CPU cores) with differing job lengths. Empirical results match the theoretical models. Based on these data, a comparative analysis is presented for when the Hadoop framework will be relevant and nonrelevant for medical imaging.
High-reliability computing for the smarter planet
DOE Office of Scientific and Technical Information (OSTI.GOV)
Quinn, Heather M; Graham, Paul; Manuzzato, Andrea
2010-01-01
The geometric rate of improvement of transistor size and integrated circuit performance, known as Moore's Law, has been an engine of growth for our economy, enabling new products and services, creating new value and wealth, increasing safety, and removing menial tasks from our daily lives. Affordable, highly integrated components have enabled both life-saving technologies and rich entertainment applications. Anti-lock brakes, insulin monitors, and GPS-enabled emergency response systems save lives. Cell phones, internet appliances, virtual worlds, realistic video games, and mp3 players enrich our lives and connect us together. Over the past 40 years of silicon scaling, the increasing capabilities ofmore » inexpensive computation have transformed our society through automation and ubiquitous communications. In this paper, we will present the concept of the smarter planet, how reliability failures affect current systems, and methods that can be used to increase the reliable adoption of new automation in the future. We will illustrate these issues using a number of different electronic devices in a couple of different scenarios. Recently IBM has been presenting the idea of a 'smarter planet.' In smarter planet documents, IBM discusses increased computer automation of roadways, banking, healthcare, and infrastructure, as automation could create more efficient systems. A necessary component of the smarter planet concept is to ensure that these new systems have very high reliability. Even extremely rare reliability problems can easily escalate to problematic scenarios when implemented at very large scales. For life-critical systems, such as automobiles, infrastructure, medical implantables, and avionic systems, unmitigated failures could be dangerous. As more automation moves into these types of critical systems, reliability failures will need to be managed. As computer automation continues to increase in our society, the need for greater radiation reliability is necessary. Already critical infrastructure is failing too frequently. In this paper, we will introduce the Cross-Layer Reliability concept for designing more reliable computer systems.« less
NASA Technical Reports Server (NTRS)
Barbero, P.; Chin, J.
1973-01-01
The theoretical derivation of the set of equations is discussed which is applicable to modeling the dynamic characteristics of aeroelastically-scaled models flown on the two-cable mount system in a 16 ft transonic dynamics tunnel. The computer program provided for the analysis is also described. The program calculates model trim conditions as well as 3 DOF longitudinal and lateral/directional dynamic conditions for various flying cable and snubber cable configurations. Sample input and output are included.
Development of an autonomous video rendezvous and docking system, phase 2
NASA Technical Reports Server (NTRS)
Tietz, J. C.; Richardson, T. E.
1983-01-01
The critical elements of an autonomous video rendezvous and docking system were built and used successfully in a physical laboratory simulation. The laboratory system demonstrated that a small, inexpensive electronic package and a flight computer of modest size can analyze television images to derive guidance information for spacecraft. In the ultimate application, the system would use a docking aid consisting of three flashing lights mounted on a passive target spacecraft. Television imagery of the docking aid would be processed aboard an active chase vehicle to derive relative positions and attitudes of the two spacecraft. The demonstration system used scale models of the target spacecraft with working docking aids. A television camera mounted on a 6 degree of freedom (DOF) simulator provided imagery of the target to simulate observations from the chase vehicle. A hardware video processor extracted statistics from the imagery, from which a computer quickly computed position and attitude. Computer software known as a Kalman filter derived velocity information from position measurements.
An autonomous molecular computer for logical control of gene expression.
Benenson, Yaakov; Gil, Binyamin; Ben-Dor, Uri; Adar, Rivka; Shapiro, Ehud
2004-05-27
Early biomolecular computer research focused on laboratory-scale, human-operated computers for complex computational problems. Recently, simple molecular-scale autonomous programmable computers were demonstrated allowing both input and output information to be in molecular form. Such computers, using biological molecules as input data and biologically active molecules as outputs, could produce a system for 'logical' control of biological processes. Here we describe an autonomous biomolecular computer that, at least in vitro, logically analyses the levels of messenger RNA species, and in response produces a molecule capable of affecting levels of gene expression. The computer operates at a concentration of close to a trillion computers per microlitre and consists of three programmable modules: a computation module, that is, a stochastic molecular automaton; an input module, by which specific mRNA levels or point mutations regulate software molecule concentrations, and hence automaton transition probabilities; and an output module, capable of controlled release of a short single-stranded DNA molecule. This approach might be applied in vivo to biochemical sensing, genetic engineering and even medical diagnosis and treatment. As a proof of principle we programmed the computer to identify and analyse mRNA of disease-related genes associated with models of small-cell lung cancer and prostate cancer, and to produce a single-stranded DNA molecule modelled after an anticancer drug.
Parameter Sweep and Optimization of Loosely Coupled Simulations Using the DAKOTA Toolkit
DOE Office of Scientific and Technical Information (OSTI.GOV)
Elwasif, Wael R; Bernholdt, David E; Pannala, Sreekanth
2012-01-01
The increasing availability of large scale computing capabilities has accelerated the development of high-fidelity coupled simulations. Such simulations typically involve the integration of models that implement various aspects of the complex phenomena under investigation. Coupled simulations are playing an integral role in fields such as climate modeling, earth systems modeling, rocket simulations, computational chemistry, fusion research, and many other computational fields. Model coupling provides scientists with systematic ways to virtually explore the physical, mathematical, and computational aspects of the problem. Such exploration is rarely done using a single execution of a simulation, but rather by aggregating the results from manymore » simulation runs that, together, serve to bring to light novel knowledge about the system under investigation. Furthermore, it is often the case (particularly in engineering disciplines) that the study of the underlying system takes the form of an optimization regime, where the control parameter space is explored to optimize an objective functions that captures system realizability, cost, performance, or a combination thereof. Novel and flexible frameworks that facilitate the integration of the disparate models into a holistic simulation are used to perform this research, while making efficient use of the available computational resources. In this paper, we describe the integration of the DAKOTA optimization and parameter sweep toolkit with the Integrated Plasma Simulator (IPS), a component-based framework for loosely coupled simulations. The integration allows DAKOTA to exploit the internal task and resource management of the IPS to dynamically instantiate simulation instances within a single IPS instance, allowing for greater control over the trade-off between efficiency of resource utilization and time to completion. We present a case study showing the use of the combined DAKOTA-IPS system to aid in the design of a lithium ion battery (LIB) cell, by studying a coupled system involving the electrochemistry and ion transport at the lower length scales and thermal energy transport at the device scales. The DAKOTA-IPS system provides a flexible tool for use in optimization and parameter sweep studies involving loosely coupled simulations that is suitable for use in situations where changes to the constituent components in the coupled simulation are impractical due to intellectual property or code heritage issues.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)
Schiffmann, Florian; VandeVondele, Joost, E-mail: Joost.VandeVondele@mat.ethz.ch
2015-06-28
We present an improved preconditioning scheme for electronic structure calculations based on the orbital transformation method. First, a preconditioner is developed which includes information from the full Kohn-Sham matrix but avoids computationally demanding diagonalisation steps in its construction. This reduces the computational cost of its construction, eliminating a bottleneck in large scale simulations, while maintaining rapid convergence. In addition, a modified form of Hotelling’s iterative inversion is introduced to replace the exact inversion of the preconditioner matrix. This method is highly effective during molecular dynamics (MD), as the solution obtained in earlier MD steps is a suitable initial guess. Filteringmore » small elements during sparse matrix multiplication leads to linear scaling inversion, while retaining robustness, already for relatively small systems. For system sizes ranging from a few hundred to a few thousand atoms, which are typical for many practical applications, the improvements to the algorithm lead to a 2-5 fold speedup per MD step.« less
Large-Scale Document Automation: The Systems Integration Issue.
ERIC Educational Resources Information Center
Kalthoff, Robert J.
1985-01-01
Reviews current technologies for electronic imaging and its recording and transmission, including digital recording, optical data disks, automated image-delivery micrographics, high-density-magnetic recording, and new developments in telecommunications and computers. The role of the document automation systems integrator, who will bring these…
Educational Technology--The White Elephant.
ERIC Educational Resources Information Center
Molnar, Andrew R.
A ten year experiment in educational technology sponsored under Title VII of the National Defense Education Act (NDEA) demonstrated the feasibility of large-scale educational systems which can extend education to all while permitting the individualization of instruction without significant increase in cost (through television, computer systems,…
Incorporation of Monitoring Systems to Model Irrigated Cotton at a Landscape Level
USDA-ARS?s Scientific Manuscript database
Advances in computer speed, industry IT core capabilities, and available soils and weather information have resulted in the need for “cropping system models” that address in detail the spatial and temporal water, energy and carbon balance of the system at a landscape scale. Many of these models have...
The Air Force Advanced Instructional System (AIS): An Overview.
ERIC Educational Resources Information Center
Yasutake, Joseph Y.; Stobie, William H.
The Air Force Advanced Instructional System (AIS) is a prototype computer-based multimedia system for the administration and management of individualized technical training on a large scale. The paper provides an overview of the AIS: (1) its purposes and goals, (2) the background and rationale for the development approach, (3) a basic description…