Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

NASA Astrophysics Data System (ADS)

Gel, Aytekin; Hu, Jonathan; Ould-Ahmed-Vall, ElMoustapha; Kalinkin, Alexander A.

2017-02-01

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, which is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,'bottom-up' and 'top-down', are illustrated. Preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

NASA Technical Reports Server (NTRS)

Pratt, D. T.; Radhakrishnan, K.

1986-01-01

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

General Electromagnetic Model for the Analysis of Complex Systems (GEMACS) Computer Code Documentation (Version 3). Volume 3, Part 4.

DTIC Science & Technology

1983-09-01

6ENFRAL. ELECTROMAGNETIC MODEL FOR THE ANALYSIS OF COMPLEX SYSTEMS **%(GEMA CS) Computer Code Documentation ii( Version 3 ). A the BDM Corporation Dr...ANALYSIS FnlTcnclRpr F COMPLEX SYSTEM (GmCS) February 81 - July 83- I TR CODE DOCUMENTATION (Version 3 ) 6.PROMN N.REPORT NUMBER 5. CONTRACT ORGAT97...the ti and t2 directions on the source patch. 3 . METHOD: The electric field at a segment observation point due to the source patch j is given by 1-- lnA

Simulation of partially coherent light propagation using parallel computing devices

NASA Astrophysics Data System (ADS)

Magalhães, Tiago C.; Rebordão, José M.

2017-08-01

Light acquires or loses coherence and coherence is one of the few optical observables. Spectra can be derived from coherence functions and understanding any interferometric experiment is also relying upon coherence functions. Beyond the two limiting cases (full coherence or incoherence) the coherence of light is always partial and it changes with propagation. We have implemented a code to compute the propagation of partially coherent light from the source plane to the observation plane using parallel computing devices (PCDs). In this paper, we restrict the propagation in free space only. To this end, we used the Open Computing Language (OpenCL) and the open-source toolkit PyOpenCL, which gives access to OpenCL parallel computation through Python. To test our code, we chose two coherence source models: an incoherent source and a Gaussian Schell-model source. In the former case, we divided into two different source shapes: circular and rectangular. The results were compared to the theoretical values. Our implemented code allows one to choose between the PyOpenCL implementation and a standard one, i.e using the CPU only. To test the computation time for each implementation (PyOpenCL and standard), we used several computer systems with different CPUs and GPUs. We used powers of two for the dimensions of the cross-spectral density matrix (e.g. 324, 644) and a significant speed increase is observed in the PyOpenCL implementation when compared to the standard one. This can be an important tool for studying new source models.

Hypersonic simulations using open-source CFD and DSMC solvers

NASA Astrophysics Data System (ADS)

Casseau, V.; Scanlon, T. J.; John, B.; Emerson, D. R.; Brown, R. E.

2016-11-01

Hypersonic hybrid hydrodynamic-molecular gas flow solvers are required to satisfy the two essential requirements of any high-speed reacting code, these being physical accuracy and computational efficiency. The James Weir Fluids Laboratory at the University of Strathclyde is currently developing an open-source hybrid code which will eventually reconcile the direct simulation Monte-Carlo method, making use of the OpenFOAM application called dsmcFoam, and the newly coded open-source two-temperature computational fluid dynamics solver named hy2Foam. In conjunction with employing the CVDV chemistry-vibration model in hy2Foam, novel use is made of the QK rates in a CFD solver. In this paper, further testing is performed, in particular with the CFD solver, to ensure its efficacy before considering more advanced test cases. The hy2Foam and dsmcFoam codes have shown to compare reasonably well, thus providing a useful basis for other codes to compare against.

A study of the optimization method used in the NAVY/NASA gas turbine engine computer code

NASA Technical Reports Server (NTRS)

Horsewood, J. L.; Pines, S.

1977-01-01

Sources of numerical noise affecting the convergence properties of the Powell's Principal Axis Method of Optimization in the NAVY/NASA gas turbine engine computer code were investigated. The principal noise source discovered resulted from loose input tolerances used in terminating iterations performed in subroutine CALCFX to satisfy specified control functions. A minor source of noise was found to be introduced by an insufficient number of digits in stored coefficients used by subroutine THERM in polynomial expressions of thermodynamic properties. Tabular results of several computer runs are presented to show the effects on program performance of selective corrective actions taken to reduce noise.

Astronomy education and the Astrophysics Source Code Library

NASA Astrophysics Data System (ADS)

Allen, Alice; Nemiroff, Robert J.

2016-01-01

The Astrophysics Source Code Library (ASCL) is an online registry of source codes used in refereed astrophysics research. It currently lists nearly 1,200 codes and covers all aspects of computational astrophysics. How can this resource be of use to educators and to the graduate students they mentor? The ASCL serves as a discovery tool for codes that can be used for one's own research. Graduate students can also investigate existing codes to see how common astronomical problems are approached numerically in practice, and use these codes as benchmarks for their own solutions to these problems. Further, they can deepen their knowledge of software practices and techniques through examination of others' codes.

28 CFR 802.4 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Administration COURT SERVICES AND OFFENDER SUPERVISION AGENCY FOR THE DISTRICT OF COLUMBIA DISCLOSURE OF RECORDS... proprietary interest in the information. (e) Computer software means tools by which records are created, stored, and retrieved. Normally, computer software, including source code, object code, and listings of...

Fast computation of quadrupole and hexadecapole approximations in microlensing with a single point-source evaluation

NASA Astrophysics Data System (ADS)

Cassan, Arnaud

2017-07-01

The exoplanet detection rate from gravitational microlensing has grown significantly in recent years thanks to a great enhancement of resources and improved observational strategy. Current observatories include ground-based wide-field and/or robotic world-wide networks of telescopes, as well as space-based observatories such as satellites Spitzer or Kepler/K2. This results in a large quantity of data to be processed and analysed, which is a challenge for modelling codes because of the complexity of the parameter space to be explored and the intensive computations required to evaluate the models. In this work, I present a method that allows to compute the quadrupole and hexadecapole approximations of the finite-source magnification with more efficiency than previously available codes, with routines about six times and four times faster, respectively. The quadrupole takes just about twice the time of a point-source evaluation, which advocates for generalizing its use to large portions of the light curves. The corresponding routines are available as open-source python codes.

Duct flow nonuniformities for Space Shuttle Main Engine (SSME)

NASA Technical Reports Server (NTRS)

1987-01-01

A three-duct Space Shuttle Main Engine (SSME) Hot Gas Manifold geometry code was developed for use. The methodology of the program is described, recommendations on its implementation made, and an input guide, input deck listing, and a source code listing provided. The code listing is strewn with an abundance of comments to assist the user in following its development and logic. A working source deck will be provided. A thorough analysis was made of the proper boundary conditions and chemistry kinetics necessary for an accurate computational analysis of the flow environment in the SSME fuel side preburner chamber during the initial startup transient. Pertinent results were presented to facilitate incorporation of these findings into an appropriate CFD code. The computation must be a turbulent computation, since the flow field turbulent mixing will have a profound effect on the chemistry. Because of the additional equations demanded by the chemistry model it is recommended that for expediency a simple algebraic mixing length model be adopted. Performing this computation for all or selected time intervals of the startup time will require an abundance of computer CPU time regardless of the specific CFD code selected.

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

DOE PAGES

Gel, Aytekin; Hu, Jonathan; Ould-Ahmed-Vall, ElMoustapha; ...

2017-03-20

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, whichmore » is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Here, preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.« less

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

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

Gel, Aytekin; Hu, Jonathan; Ould-Ahmed-Vall, ElMoustapha

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, whichmore » is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Here, preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.« less

77 FR 37091 - Agency Information Collection Activities: Request for Comments for a New Information Collection

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-20

... analysis and design, and computer software design and coding. Given the fact that over $500 million were... acoustic algorithms, computer architecture, and source code that dated to the 1970s. Since that time... 2012. Version 3.0 is an entirely new, state-of-the-art computer program used for predicting noise...

Sharing the Code.

ERIC Educational Resources Information Center

Olsen, Florence

2003-01-01

Colleges and universities are beginning to consider collaborating on open-source-code projects as a way to meet critical software and computing needs. Points out the attractive features of noncommercial open-source software and describes some examples in use now, especially for the creation of Web infrastructure. (SLD)

Improved neutron activation prediction code system development

NASA Technical Reports Server (NTRS)

Saqui, R. M.

1971-01-01

Two integrated neutron activation prediction code systems have been developed by modifying and integrating existing computer programs to perform the necessary computations to determine neutron induced activation gamma ray doses and dose rates in complex geometries. Each of the two systems is comprised of three computational modules. The first program module computes the spatial and energy distribution of the neutron flux from an input source and prepares input data for the second program which performs the reaction rate, decay chain and activation gamma source calculations. A third module then accepts input prepared by the second program to compute the cumulative gamma doses and/or dose rates at specified detector locations in complex, three-dimensional geometries.

Model-Based Least Squares Reconstruction of Coded Source Neutron Radiographs: Integrating the ORNL HFIR CG1D Source Model

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

Santos-Villalobos, Hector J; Gregor, Jens; Bingham, Philip R

2014-01-01

At the present, neutron sources cannot be fabricated small and powerful enough in order to achieve high resolution radiography while maintaining an adequate flux. One solution is to employ computational imaging techniques such as a Magnified Coded Source Imaging (CSI) system. A coded-mask is placed between the neutron source and the object. The system resolution is increased by reducing the size of the mask holes and the flux is increased by increasing the size of the coded-mask and/or the number of holes. One limitation of such system is that the resolution of current state-of-the-art scintillator-based detectors caps around 50um. Tomore » overcome this challenge, the coded-mask and object are magnified by making the distance from the coded-mask to the object much smaller than the distance from object to detector. In previous work, we have shown via synthetic experiments that our least squares method outperforms other methods in image quality and reconstruction precision because of the modeling of the CSI system components. However, the validation experiments were limited to simplistic neutron sources. In this work, we aim to model the flux distribution of a real neutron source and incorporate such a model in our least squares computational system. We provide a full description of the methodology used to characterize the neutron source and validate the method with synthetic experiments.« less

A Flexible and Non-instrusive Approach for Computing Complex Structural Coverage Metrics

NASA Technical Reports Server (NTRS)

Whalen, Michael W.; Person, Suzette J.; Rungta, Neha; Staats, Matt; Grijincu, Daniela

2015-01-01

Software analysis tools and techniques often leverage structural code coverage information to reason about the dynamic behavior of software. Existing techniques instrument the code with the required structural obligations and then monitor the execution of the compiled code to report coverage. Instrumentation based approaches often incur considerable runtime overhead for complex structural coverage metrics such as Modified Condition/Decision (MC/DC). Code instrumentation, in general, has to be approached with great care to ensure it does not modify the behavior of the original code. Furthermore, instrumented code cannot be used in conjunction with other analyses that reason about the structure and semantics of the code under test. In this work, we introduce a non-intrusive preprocessing approach for computing structural coverage information. It uses a static partial evaluation of the decisions in the source code and a source-to-bytecode mapping to generate the information necessary to efficiently track structural coverage metrics during execution. Our technique is flexible; the results of the preprocessing can be used by a variety of coverage-driven software analysis tasks, including automated analyses that are not possible for instrumented code. Experimental results in the context of symbolic execution show the efficiency and flexibility of our nonintrusive approach for computing code coverage information

15 CFR 740.7 - Computers (APP).

Code of Federal Regulations, 2010 CFR

2010-01-01

... 4A003. (2) Technology and software. License Exception APP authorizes exports of technology and software... programmability. (ii) Technology and source code. Technology and source code eligible for License Exception APP..., reexports and transfers (in-country) for nuclear, chemical, biological, or missile end-users and end-uses...

Performance analysis of three dimensional integral equation computations on a massively parallel computer. M.S. Thesis

NASA Technical Reports Server (NTRS)

Logan, Terry G.

1994-01-01

The purpose of this study is to investigate the performance of the integral equation computations using numerical source field-panel method in a massively parallel processing (MPP) environment. A comparative study of computational performance of the MPP CM-5 computer and conventional Cray-YMP supercomputer for a three-dimensional flow problem is made. A serial FORTRAN code is converted into a parallel CM-FORTRAN code. Some performance results are obtained on CM-5 with 32, 62, 128 nodes along with those on Cray-YMP with a single processor. The comparison of the performance indicates that the parallel CM-FORTRAN code near or out-performs the equivalent serial FORTRAN code for some cases.

77 FR 37736 - Agency Information Collection Activities: Request for Comments for a New Information Collection

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-22

... analysis and design, and computer software design and coding. Given the fact that over $500 million were... acoustic algorithms, computer architecture, and source code that dated to the 1970s. Since that time... towards the end of 2012. Version 3.0 is an entirely new, state-of-the-art computer program used for...

Injecting Artificial Memory Errors Into a Running Computer Program

NASA Technical Reports Server (NTRS)

Bornstein, Benjamin J.; Granat, Robert A.; Wagstaff, Kiri L.

2008-01-01

Single-event upsets (SEUs) or bitflips are computer memory errors caused by radiation. BITFLIPS (Basic Instrumentation Tool for Fault Localized Injection of Probabilistic SEUs) is a computer program that deliberately injects SEUs into another computer program, while the latter is running, for the purpose of evaluating the fault tolerance of that program. BITFLIPS was written as a plug-in extension of the open-source Valgrind debugging and profiling software. BITFLIPS can inject SEUs into any program that can be run on the Linux operating system, without needing to modify the program s source code. Further, if access to the original program source code is available, BITFLIPS offers fine-grained control over exactly when and which areas of memory (as specified via program variables) will be subjected to SEUs. The rate of injection of SEUs is controlled by specifying either a fault probability or a fault rate based on memory size and radiation exposure time, in units of SEUs per byte per second. BITFLIPS can also log each SEU that it injects and, if program source code is available, report the magnitude of effect of the SEU on a floating-point value or other program variable.

Optimization of computations for adjoint field and Jacobian needed in 3D CSEM inversion

NASA Astrophysics Data System (ADS)

Dehiya, Rahul; Singh, Arun; Gupta, Pravin K.; Israil, M.

2017-01-01

We present the features and results of a newly developed code, based on Gauss-Newton optimization technique, for solving three-dimensional Controlled-Source Electromagnetic inverse problem. In this code a special emphasis has been put on representing the operations by block matrices for conjugate gradient iteration. We show how in the computation of Jacobian, the matrix formed by differentiation of system matrix can be made independent of frequency to optimize the operations at conjugate gradient step. The coarse level parallel computing, using OpenMP framework, is used primarily due to its simplicity in implementation and accessibility of shared memory multi-core computing machine to almost anyone. We demonstrate how the coarseness of modeling grid in comparison to source (comp`utational receivers) spacing can be exploited for efficient computing, without compromising the quality of the inverted model, by reducing the number of adjoint calls. It is also demonstrated that the adjoint field can even be computed on a grid coarser than the modeling grid without affecting the inversion outcome. These observations were reconfirmed using an experiment design where the deviation of source from straight tow line is considered. Finally, a real field data inversion experiment is presented to demonstrate robustness of the code.

Source Listings for Computer Code SPIRALI Incompressible, Turbulent Spiral Grooved Cylindrical and Face Seals

NASA Technical Reports Server (NTRS)

Walowit, Jed A.; Shapiro, Wibur

2005-01-01

This is the source listing of the computer code SPIRALI which predicts the performance characteristics of incompressible cylindrical and face seals with or without the inclusion of spiral grooves. Performance characteristics include load capacity (for face seals), leakage flow, power requirements and dynamic characteristics in the form of stiffness, damping and apparent mass coefficients in 4 degrees of freedom for cylindrical seals and 3 degrees of freedom for face seals. These performance characteristics are computed as functions of seal and groove geometry, load or film thickness, running and disturbance speeds, fluid viscosity, and boundary pressures.

15 CFR 740.7 - Computers (APP).

Code of Federal Regulations, 2011 CFR

2011-01-01

... 4A003. (2) Technology and software. License Exception APP authorizes exports of technology and software... License Exception. (2) Access and release restrictions. (i)[Reserved] (ii) Technology and source code. Technology and source code eligible for License Exception APP may not be released to nationals of Cuba, Iran...

Hanford meteorological station computer codes: Volume 9, The quality assurance computer codes

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

Burk, K.W.; Andrews, G.L.

1989-02-01

The Hanford Meteorological Station (HMS) was established in 1944 on the Hanford Site to collect and archive meteorological data and provide weather forecasts and related services for Hanford Site approximately 1/2 mile east of the 200 West Area and is operated by PNL for the US Department of Energy. Meteorological data are collected from various sensors and equipment located on and off the Hanford Site. These data are stored in data bases on the Digital Equipment Corporation (DEC) VAX 11/750 at the HMS (hereafter referred to as the HMS computer). Files from those data bases are routinely transferred to themore » Emergency Management System (EMS) computer at the Unified Dose Assessment Center (UDAC). To ensure the quality and integrity of the HMS data, a set of Quality Assurance (QA) computer codes has been written. The codes will be routinely used by the HMS system manager or the data base custodian. The QA codes provide detailed output files that will be used in correcting erroneous data. The following sections in this volume describe the implementation and operation of QA computer codes. The appendices contain detailed descriptions, flow charts, and source code listings of each computer code. 2 refs.« less

HELIOS-R: An Ultrafast, Open-Source Retrieval Code For Exoplanetary Atmosphere Characterization

NASA Astrophysics Data System (ADS)

LAVIE, Baptiste

2015-12-01

Atmospheric retrieval is a growing, new approach in the theory of exoplanet atmosphere characterization. Unlike self-consistent modeling it allows us to fully explore the parameter space, as well as the degeneracies between the parameters using a Bayesian framework. We present HELIOS-R, a very fast retrieving code written in Python and optimized for GPU computation. Once it is ready, HELIOS-R will be the first open-source atmospheric retrieval code accessible to the exoplanet community. As the new generation of direct imaging instruments (SPHERE, GPI) have started to gather data, the first version of HELIOS-R focuses on emission spectra. We use a 1D two-stream forward model for computing fluxes and couple it to an analytical temperature-pressure profile that is constructed to be in radiative equilibrium. We use our ultra-fast opacity calculator HELIOS-K (also open-source) to compute the opacities of CO2, H2O, CO and CH4 from the HITEMP database. We test both opacity sampling (which is typically used by other workers) and the method of k-distributions. Using this setup, we compute a grid of synthetic spectra and temperature-pressure profiles, which is then explored using a nested sampling algorithm. By focusing on model selection (Occam’s razor) through the explicit computation of the Bayesian evidence, nested sampling allows us to deal with current sparse data as well as upcoming high-resolution observations. Once the best model is selected, HELIOS-R provides posterior distributions of the parameters. As a test for our code we studied HR8799 system and compared our results with the previous analysis of Lee, Heng & Irwin (2013), which used the proprietary NEMESIS retrieval code. HELIOS-R and HELIOS-K are part of the set of open-source community codes we named the Exoclimes Simulation Platform (www.exoclime.org).

OpenFOAM: Open source CFD in research and industry

NASA Astrophysics Data System (ADS)

Jasak, Hrvoje

2009-12-01

The current focus of development in industrial Computational Fluid Dynamics (CFD) is integration of CFD into Computer-Aided product development, geometrical optimisation, robust design and similar. On the other hand, in CFD research aims to extend the boundaries ofpractical engineering use in "non-traditional " areas. Requirements of computational flexibility and code integration are contradictory: a change of coding paradigm, with object orientation, library components, equation mimicking is proposed as a way forward. This paper describes OpenFOAM, a C++ object oriented library for Computational Continuum Mechanics (CCM) developed by the author. Efficient and flexible implementation of complex physical models is achieved by mimicking the form ofpartial differential equation in software, with code functionality provided in library form. Open Source deployment and development model allows the user to achieve desired versatility in physical modeling without the sacrifice of complex geometry support and execution efficiency.

A supersonic three-dimensional code for flow over blunt bodies: Program documentation and test cases

NASA Technical Reports Server (NTRS)

Chaussee, D. S.; Mcmillan, O. J.

1980-01-01

The use of a computer code for the calculation of steady, supersonic, three dimensional, inviscid flow over blunt bodies is illustrated. Input and output are given and explained for two cases: a pointed code of 20 deg half angle at 15 deg angle of attack in a free stream with M sub infinite = 7, and a cone-ogive-cylinder at 10 deg angle of attack with M sub infinite = 2.86. A source listing of the computer code is provided.

Particle-in-cell code library for numerical simulation of the ECR source plasma

NASA Astrophysics Data System (ADS)

Shirkov, G.; Alexandrov, V.; Preisendorf, V.; Shevtsov, V.; Filippov, A.; Komissarov, R.; Mironov, V.; Shirkova, E.; Strekalovsky, O.; Tokareva, N.; Tuzikov, A.; Vatulin, V.; Vasina, E.; Fomin, V.; Anisimov, A.; Veselov, R.; Golubev, A.; Grushin, S.; Povyshev, V.; Sadovoi, A.; Donskoi, E.; Nakagawa, T.; Yano, Y.

2003-05-01

The project ;Numerical simulation and optimization of ion accumulation and production in multicharged ion sources; is funded by the International Science and Technology Center (ISTC). A summary of recent project development and the first version of a computer code library for simulation of electron-cyclotron resonance (ECR) source plasmas based on the particle-in-cell method are presented.

Program structure-based blocking

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

Bertolli, Carlo; Eichenberger, Alexandre E.; O'Brien, John K.

2017-09-26

Embodiments relate to program structure-based blocking. An aspect includes receiving source code corresponding to a computer program by a compiler of a computer system. Another aspect includes determining a prefetching section in the source code by a marking module of the compiler. Yet another aspect includes performing, by a blocking module of the compiler, blocking of instructions located in the prefetching section into instruction blocks, such that the instruction blocks of the prefetching section only contain instructions that are located in the prefetching section.

A MATLAB based 3D modeling and inversion code for MT data

NASA Astrophysics Data System (ADS)

Singh, Arun; Dehiya, Rahul; Gupta, Pravin K.; Israil, M.

2017-07-01

The development of a MATLAB based computer code, AP3DMT, for modeling and inversion of 3D Magnetotelluric (MT) data is presented. The code comprises two independent components: grid generator code and modeling/inversion code. The grid generator code performs model discretization and acts as an interface by generating various I/O files. The inversion code performs core computations in modular form - forward modeling, data functionals, sensitivity computations and regularization. These modules can be readily extended to other similar inverse problems like Controlled-Source EM (CSEM). The modular structure of the code provides a framework useful for implementation of new applications and inversion algorithms. The use of MATLAB and its libraries makes it more compact and user friendly. The code has been validated on several published models. To demonstrate its versatility and capabilities the results of inversion for two complex models are presented.

Design Considerations of a Virtual Laboratory for Advanced X-ray Sources

NASA Astrophysics Data System (ADS)

Luginsland, J. W.; Frese, M. H.; Frese, S. D.; Watrous, J. J.; Heileman, G. L.

2004-11-01

The field of scientific computation has greatly advanced in the last few years, resulting in the ability to perform complex computer simulations that can predict the performance of real-world experiments in a number of fields of study. Among the forces driving this new computational capability is the advent of parallel algorithms, allowing calculations in three-dimensional space with realistic time scales. Electromagnetic radiation sources driven by high-voltage, high-current electron beams offer an area to further push the state-of-the-art in high fidelity, first-principles simulation tools. The physics of these x-ray sources combine kinetic plasma physics (electron beams) with dense fluid-like plasma physics (anode plasmas) and x-ray generation (bremsstrahlung). There are a number of mature techniques and software packages for dealing with the individual aspects of these sources, such as Particle-In-Cell (PIC), Magneto-Hydrodynamics (MHD), and radiation transport codes. The current effort is focused on developing an object-oriented software environment using the Rational© Unified Process and the Unified Modeling Language (UML) to provide a framework where multiple 3D parallel physics packages, such as a PIC code (ICEPIC), a MHD code (MACH), and a x-ray transport code (ITS) can co-exist in a system-of-systems approach to modeling advanced x-ray sources. Initial software design and assessments of the various physics algorithms' fidelity will be presented.

Streamlined Genome Sequence Compression using Distributed Source Coding

PubMed Central

Wang, Shuang; Jiang, Xiaoqian; Chen, Feng; Cui, Lijuan; Cheng, Samuel

2014-01-01

We aim at developing a streamlined genome sequence compression algorithm to support alternative miniaturized sequencing devices, which have limited communication, storage, and computation power. Existing techniques that require heavy client (encoder side) cannot be applied. To tackle this challenge, we carefully examined distributed source coding theory and developed a customized reference-based genome compression protocol to meet the low-complexity need at the client side. Based on the variation between source and reference, our protocol will pick adaptively either syndrome coding or hash coding to compress subsequences of changing code length. Our experimental results showed promising performance of the proposed method when compared with the state-of-the-art algorithm (GRS). PMID:25520552

Plasma separation process. Betacell (BCELL) code, user's manual

NASA Astrophysics Data System (ADS)

Taherzadeh, M.

1987-11-01

The emergence of clearly defined applications for (small or large) amounts of long-life and reliable power sources has given the design and production of betavoltaic systems a new life. Moreover, because of the availability of the Plasma Separation Program, (PSP) at TRW, it is now possible to separate the most desirable radioisotopes for betacell power generating devices. A computer code, named BCELL, has been developed to model the betavoltaic concept by utilizing the available up-to-date source/cell parameters. In this program, attempts have been made to determine the betacell energy device maximum efficiency, degradation due to the emitting source radiation and source/cell lifetime power reduction processes. Additionally, comparison is made between the Schottky and PN junction devices for betacell battery design purposes. Certain computer code runs have been made to determine the JV distribution function and the upper limit of the betacell generated power for specified energy sources. A Ni beta emitting radioisotope was used for the energy source and certain semiconductors were used for the converter subsystem of the betacell system. Some results for a Promethium source are also given here for comparison.

Performing aggressive code optimization with an ability to rollback changes made by the aggressive optimizations

DOEpatents

Gschwind, Michael K

2013-07-23

Mechanisms for aggressively optimizing computer code are provided. With these mechanisms, a compiler determines an optimization to apply to a portion of source code and determines if the optimization as applied to the portion of source code will result in unsafe optimized code that introduces a new source of exceptions being generated by the optimized code. In response to a determination that the optimization is an unsafe optimization, the compiler generates an aggressively compiled code version, in which the unsafe optimization is applied, and a conservatively compiled code version in which the unsafe optimization is not applied. The compiler stores both versions and provides them for execution. Mechanisms are provided for switching between these versions during execution in the event of a failure of the aggressively compiled code version. Moreover, predictive mechanisms are provided for predicting whether such a failure is likely.

Parallelisation study of a three-dimensional environmental flow model

NASA Astrophysics Data System (ADS)

O'Donncha, Fearghal; Ragnoli, Emanuele; Suits, Frank

2014-03-01

There are many simulation codes in the geosciences that are serial and cannot take advantage of the parallel computational resources commonly available today. One model important for our work in coastal ocean current modelling is EFDC, a Fortran 77 code configured for optimal deployment on vector computers. In order to take advantage of our cache-based, blade computing system we restructured EFDC from serial to parallel, thereby allowing us to run existing models more quickly, and to simulate larger and more detailed models that were previously impractical. Since the source code for EFDC is extensive and involves detailed computation, it is important to do such a port in a manner that limits changes to the files, while achieving the desired speedup. We describe a parallelisation strategy involving surgical changes to the source files to minimise error-prone alteration of the underlying computations, while allowing load-balanced domain decomposition for efficient execution on a commodity cluster. The use of conjugate gradient posed particular challenges due to implicit non-local communication posing a hindrance to standard domain partitioning schemes; a number of techniques are discussed to address this in a feasible, computationally efficient manner. The parallel implementation demonstrates good scalability in combination with a novel domain partitioning scheme that specifically handles mixed water/land regions commonly found in coastal simulations. The approach presented here represents a practical methodology to rejuvenate legacy code on a commodity blade cluster with reasonable effort; our solution has direct application to other similar codes in the geosciences.

Chaste: An Open Source C++ Library for Computational Physiology and Biology

PubMed Central

Mirams, Gary R.; Arthurs, Christopher J.; Bernabeu, Miguel O.; Bordas, Rafel; Cooper, Jonathan; Corrias, Alberto; Davit, Yohan; Dunn, Sara-Jane; Fletcher, Alexander G.; Harvey, Daniel G.; Marsh, Megan E.; Osborne, James M.; Pathmanathan, Pras; Pitt-Francis, Joe; Southern, James; Zemzemi, Nejib; Gavaghan, David J.

2013-01-01

Chaste — Cancer, Heart And Soft Tissue Environment — is an open source C++ library for the computational simulation of mathematical models developed for physiology and biology. Code development has been driven by two initial applications: cardiac electrophysiology and cancer development. A large number of cardiac electrophysiology studies have been enabled and performed, including high-performance computational investigations of defibrillation on realistic human cardiac geometries. New models for the initiation and growth of tumours have been developed. In particular, cell-based simulations have provided novel insight into the role of stem cells in the colorectal crypt. Chaste is constantly evolving and is now being applied to a far wider range of problems. The code provides modules for handling common scientific computing components, such as meshes and solvers for ordinary and partial differential equations (ODEs/PDEs). Re-use of these components avoids the need for researchers to ‘re-invent the wheel’ with each new project, accelerating the rate of progress in new applications. Chaste is developed using industrially-derived techniques, in particular test-driven development, to ensure code quality, re-use and reliability. In this article we provide examples that illustrate the types of problems Chaste can be used to solve, which can be run on a desktop computer. We highlight some scientific studies that have used or are using Chaste, and the insights they have provided. The source code, both for specific releases and the development version, is available to download under an open source Berkeley Software Distribution (BSD) licence at http://www.cs.ox.ac.uk/chaste, together with details of a mailing list and links to documentation and tutorials. PMID:23516352

Phase II evaluation of clinical coding schemes: completeness, taxonomy, mapping, definitions, and clarity. CPRI Work Group on Codes and Structures.

PubMed

Campbell, J R; Carpenter, P; Sneiderman, C; Cohn, S; Chute, C G; Warren, J

1997-01-01

To compare three potential sources of controlled clinical terminology (READ codes version 3.1, SNOMED International, and Unified Medical Language System (UMLS) version 1.6) relative to attributes of completeness, clinical taxonomy, administrative mapping, term definitions and clarity (duplicate coding rate). The authors assembled 1929 source concept records from a variety of clinical information taken from four medical centers across the United States. The source data included medical as well as ample nursing terminology. The source records were coded in each scheme by an investigator and checked by the coding scheme owner. The codings were then scored by an independent panel of clinicians for acceptability. Codes were checked for definitions provided with the scheme. Codes for a random sample of source records were analyzed by an investigator for "parent" and "child" codes within the scheme. Parent and child pairs were scored by an independent panel of medical informatics specialists for clinical acceptability. Administrative and billing code mapping from the published scheme were reviewed for all coded records and analyzed by independent reviewers for accuracy. The investigator for each scheme exhaustively searched a sample of coded records for duplications. SNOMED was judged to be significantly more complete in coding the source material than the other schemes (SNOMED* 70%; READ 57%; UMLS 50%; *p < .00001). SNOMED also had a richer clinical taxonomy judged by the number of acceptable first-degree relatives per coded concept (SNOMED* 4.56, UMLS 3.17; READ 2.14, *p < .005). Only the UMLS provided any definitions; these were found for 49% of records which had a coding assignment. READ and UMLS had better administrative mappings (composite score: READ* 40.6%; UMLS* 36.1%; SNOMED 20.7%, *p < .00001), and SNOMED had substantially more duplications of coding assignments (duplication rate: READ 0%; UMLS 4.2%; SNOMED* 13.9%, *p < .004) associated with a loss of clarity. No major terminology source can lay claim to being the ideal resource for a computer-based patient record. However, based upon this analysis of releases for April 1995, SNOMED International is considerably more complete, has a compositional nature and a richer taxonomy. Is suffers from less clarity, resulting from a lack of syntax and evolutionary changes in its coding scheme. READ has greater clarity and better mapping to administrative schemes (ICD-10 and OPCS-4), is rapidly changing and is less complete. UMLS is a rich lexical resource, with mappings to many source vocabularies. It provides definitions for many of its terms. However, due to the varying granularities and purposes of its source schemes, it has limitations for representation of clinical concepts within a computer-based patient record.

A CFD/CSD Interaction Methodology for Aircraft Wings

NASA Technical Reports Server (NTRS)

Bhardwaj, Manoj K.

1997-01-01

With advanced subsonic transports and military aircraft operating in the transonic regime, it is becoming important to determine the effects of the coupling between aerodynamic loads and elastic forces. Since aeroelastic effects can contribute significantly to the design of these aircraft, there is a strong need in the aerospace industry to predict these aero-structure interactions computationally. To perform static aeroelastic analysis in the transonic regime, high fidelity computational fluid dynamics (CFD) analysis tools must be used in conjunction with high fidelity computational structural fluid dynamics (CSD) analysis tools due to the nonlinear behavior of the aerodynamics in the transonic regime. There is also a need to be able to use a wide variety of CFD and CSD tools to predict these aeroelastic effects in the transonic regime. Because source codes are not always available, it is necessary to couple the CFD and CSD codes without alteration of the source codes. In this study, an aeroelastic coupling procedure is developed which will perform static aeroelastic analysis using any CFD and CSD code with little code integration. The aeroelastic coupling procedure is demonstrated on an F/A-18 Stabilator using NASTD (an in-house McDonnell Douglas CFD code) and NASTRAN. In addition, the Aeroelastic Research Wing (ARW-2) is used for demonstration of the aeroelastic coupling procedure by using ENSAERO (NASA Ames Research Center CFD code) and a finite element wing-box code (developed as part of this research).

Unaligned instruction relocation

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

Bertolli, Carlo; O'Brien, John K.; Sallenave, Olivier H.

In one embodiment, a computer-implemented method includes receiving source code to be compiled into an executable file for an unaligned instruction set architecture (ISA). Aligned assembled code is generated, by a computer processor. The aligned assembled code complies with an aligned ISA and includes aligned processor code for a processor and aligned accelerator code for an accelerator. A first linking pass is performed on the aligned assembled code, including relocating a first relocation target in the aligned accelerator code that refers to a first object outside the aligned accelerator code. Unaligned assembled code is generated in accordance with the unalignedmore » ISA and includes unaligned accelerator code for the accelerator and unaligned processor code for the processor. A second linking pass is performed on the unaligned assembled code, including relocating a second relocation target outside the unaligned accelerator code that refers to an object in the unaligned accelerator code.« less

Unaligned instruction relocation

DOEpatents

Bertolli, Carlo; O'Brien, John K.; Sallenave, Olivier H.; Sura, Zehra N.

2018-01-23

In one embodiment, a computer-implemented method includes receiving source code to be compiled into an executable file for an unaligned instruction set architecture (ISA). Aligned assembled code is generated, by a computer processor. The aligned assembled code complies with an aligned ISA and includes aligned processor code for a processor and aligned accelerator code for an accelerator. A first linking pass is performed on the aligned assembled code, including relocating a first relocation target in the aligned accelerator code that refers to a first object outside the aligned accelerator code. Unaligned assembled code is generated in accordance with the unaligned ISA and includes unaligned accelerator code for the accelerator and unaligned processor code for the processor. A second linking pass is performed on the unaligned assembled code, including relocating a second relocation target outside the unaligned accelerator code that refers to an object in the unaligned accelerator code.

Simulation of Jet Noise with OVERFLOW CFD Code and Kirchhoff Surface Integral

NASA Technical Reports Server (NTRS)

Kandula, M.; Caimi, R.; Voska, N. (Technical Monitor)

2002-01-01

An acoustic prediction capability for supersonic axisymmetric jets was developed on the basis of OVERFLOW Navier-Stokes CFD (Computational Fluid Dynamics) code of NASA Langley Research Center. Reynolds-averaged turbulent stresses in the flow field are modeled with the aid of Spalart-Allmaras one-equation turbulence model. Appropriate acoustic and outflow boundary conditions were implemented to compute time-dependent acoustic pressure in the nonlinear source-field. Based on the specification of acoustic pressure, its temporal and normal derivatives on the Kirchhoff surface, the near-field and the far-field sound pressure levels are computed via Kirchhoff surface integral, with the Kirchhoff surface chosen to enclose the nonlinear sound source region described by the CFD code. The methods are validated by a comparison of the predictions of sound pressure levels with the available data for an axisymmetric turbulent supersonic (Mach 2) perfectly expanded jet.

Simulation of Supersonic Jet Noise with the Adaptation of Overflow CFD Code and Kirchhoff Surface Integral

NASA Technical Reports Server (NTRS)

Kandula, Max; Caimi, Raoul; Steinrock, T. (Technical Monitor)

2001-01-01

An acoustic prediction capability for supersonic axisymmetric jets was developed on the basis of OVERFLOW Navier-Stokes CFD (Computational Fluid Dynamics) code of NASA Langley Research Center. Reynolds-averaged turbulent stresses in the flow field are modeled with the aid of Spalart-Allmaras one-equation turbulence model. Appropriate acoustic and outflow boundary conditions were implemented to compute time-dependent acoustic pressure in the nonlinear source-field. Based on the specification of acoustic pressure, its temporal and normal derivatives on the Kirchhoff surface, the near-field and the far-field sound pressure levels are computed via Kirchhoff surface integral, with the Kirchhoff surface chosen to enclose the nonlinear sound source region described by the CFD code. The methods are validated by a comparison of the predictions of sound pressure levels with the available data for an axisymmetric turbulent supersonic (Mach 2) perfectly expanded jet.

Spectral-element Seismic Wave Propagation on CUDA/OpenCL Hardware Accelerators

NASA Astrophysics Data System (ADS)

Peter, D. B.; Videau, B.; Pouget, K.; Komatitsch, D.

2015-12-01

Seismic wave propagation codes are essential tools to investigate a variety of wave phenomena in the Earth. Furthermore, they can now be used for seismic full-waveform inversions in regional- and global-scale adjoint tomography. Although these seismic wave propagation solvers are crucial ingredients to improve the resolution of tomographic images to answer important questions about the nature of Earth's internal processes and subsurface structure, their practical application is often limited due to high computational costs. They thus need high-performance computing (HPC) facilities to improving the current state of knowledge. At present, numerous large HPC systems embed many-core architectures such as graphics processing units (GPUs) to enhance numerical performance. Such hardware accelerators can be programmed using either the CUDA programming environment or the OpenCL language standard. CUDA software development targets NVIDIA graphic cards while OpenCL was adopted by additional hardware accelerators, like e.g. AMD graphic cards, ARM-based processors as well as Intel Xeon Phi coprocessors. For seismic wave propagation simulations using the open-source spectral-element code package SPECFEM3D_GLOBE, we incorporated an automatic source-to-source code generation tool (BOAST) which allows us to use meta-programming of all computational kernels for forward and adjoint runs. Using our BOAST kernels, we generate optimized source code for both CUDA and OpenCL languages within the source code package. Thus, seismic wave simulations are able now to fully utilize CUDA and OpenCL hardware accelerators. We show benchmarks of forward seismic wave propagation simulations using SPECFEM3D_GLOBE on CUDA/OpenCL GPUs, validating results and comparing performances for different simulations and hardware usages.

Microsoft C#.NET program and electromagnetic depth sounding for large loop source

NASA Astrophysics Data System (ADS)

Prabhakar Rao, K.; Ashok Babu, G.

2009-07-01

A program, in the C# (C Sharp) language with Microsoft.NET Framework, is developed to compute the normalized vertical magnetic field of a horizontal rectangular loop source placed on the surface of an n-layered earth. The field can be calculated either inside or outside the loop. Five C# classes with member functions in each class are, designed to compute the kernel, Hankel transform integral, coefficients for cubic spline interpolation between computed values and the normalized vertical magnetic field. The program computes the vertical magnetic field in the frequency domain using the integral expressions evaluated by a combination of straightforward numerical integration and the digital filter technique. The code utilizes different object-oriented programming (OOP) features. It finally computes the amplitude and phase of the normalized vertical magnetic field. The computed results are presented for geometric and parametric soundings. The code is developed in Microsoft.NET visual studio 2003 and uses various system class libraries.

Phase II Evaluation of Clinical Coding Schemes

PubMed Central

Campbell, James R.; Carpenter, Paul; Sneiderman, Charles; Cohn, Simon; Chute, Christopher G.; Warren, Judith

1997-01-01

Abstract Objective: To compare three potential sources of controlled clinical terminology (READ codes version 3.1, SNOMED International, and Unified Medical Language System (UMLS) version 1.6) relative to attributes of completeness, clinical taxonomy, administrative mapping, term definitions and clarity (duplicate coding rate). Methods: The authors assembled 1929 source concept records from a variety of clinical information taken from four medical centers across the United States. The source data included medical as well as ample nursing terminology. The source records were coded in each scheme by an investigator and checked by the coding scheme owner. The codings were then scored by an independent panel of clinicians for acceptability. Codes were checked for definitions provided with the scheme. Codes for a random sample of source records were analyzed by an investigator for “parent” and “child” codes within the scheme. Parent and child pairs were scored by an independent panel of medical informatics specialists for clinical acceptability. Administrative and billing code mapping from the published scheme were reviewed for all coded records and analyzed by independent reviewers for accuracy. The investigator for each scheme exhaustively searched a sample of coded records for duplications. Results: SNOMED was judged to be significantly more complete in coding the source material than the other schemes (SNOMED* 70%; READ 57%; UMLS 50%; *p <.00001). SNOMED also had a richer clinical taxonomy judged by the number of acceptable first-degree relatives per coded concept (SNOMED* 4.56; UMLS 3.17; READ 2.14, *p <.005). Only the UMLS provided any definitions; these were found for 49% of records which had a coding assignment. READ and UMLS had better administrative mappings (composite score: READ* 40.6%; UMLS* 36.1%; SNOMED 20.7%, *p <. 00001), and SNOMED had substantially more duplications of coding assignments (duplication rate: READ 0%; UMLS 4.2%; SNOMED* 13.9%, *p <. 004) associated with a loss of clarity. Conclusion: No major terminology source can lay claim to being the ideal resource for a computer-based patient record. However, based upon this analysis of releases for April 1995, SNOMED International is considerably more complete, has a compositional nature and a richer taxonomy. It suffers from less clarity, resulting from a lack of syntax and evolutionary changes in its coding scheme. READ has greater clarity and better mapping to administrative schemes (ICD-10 and OPCS-4), is rapidly changing and is less complete. UMLS is a rich lexical resource, with mappings to many source vocabularies. It provides definitions for many of its terms. However, due to the varying granularities and purposes of its source schemes, it has limitations for representation of clinical concepts within a computer-based patient record. PMID:9147343

Utilizing GPUs to Accelerate Turbomachinery CFD Codes

NASA Technical Reports Server (NTRS)

MacCalla, Weylin; Kulkarni, Sameer

2016-01-01

GPU computing has established itself as a way to accelerate parallel codes in the high performance computing world. This work focuses on speeding up APNASA, a legacy CFD code used at NASA Glenn Research Center, while also drawing conclusions about the nature of GPU computing and the requirements to make GPGPU worthwhile on legacy codes. Rewriting and restructuring of the source code was avoided to limit the introduction of new bugs. The code was profiled and investigated for parallelization potential, then OpenACC directives were used to indicate parallel parts of the code. The use of OpenACC directives was not able to reduce the runtime of APNASA on either the NVIDIA Tesla discrete graphics card, or the AMD accelerated processing unit. Additionally, it was found that in order to justify the use of GPGPU, the amount of parallel work being done within a kernel would have to greatly exceed the work being done by any one portion of the APNASA code. It was determined that in order for an application like APNASA to be accelerated on the GPU, it should not be modular in nature, and the parallel portions of the code must contain a large portion of the code's computation time.

The influence of commenting validity, placement, and style on perceptions of computer code trustworthiness: A heuristic-systematic processing approach.

PubMed

Alarcon, Gene M; Gamble, Rose F; Ryan, Tyler J; Walter, Charles; Jessup, Sarah A; Wood, David W; Capiola, August

2018-07-01

Computer programs are a ubiquitous part of modern society, yet little is known about the psychological processes that underlie reviewing code. We applied the heuristic-systematic model (HSM) to investigate the influence of computer code comments on perceptions of code trustworthiness. The study explored the influence of validity, placement, and style of comments in code on trustworthiness perceptions and time spent on code. Results indicated valid comments led to higher trust assessments and more time spent on the code. Properly placed comments led to lower trust assessments and had a marginal effect on time spent on code; however, the effect was no longer significant after controlling for effects of the source code. Low style comments led to marginally higher trustworthiness assessments, but high style comments led to longer time spent on the code. Several interactions were also found. Our findings suggest the relationship between code comments and perceptions of code trustworthiness is not as straightforward as previously thought. Additionally, the current paper extends the HSM to the programming literature. Copyright © 2018 Elsevier Ltd. All rights reserved.

Verification of a Viscous Computational Aeroacoustics Code using External Verification Analysis

NASA Technical Reports Server (NTRS)

Ingraham, Daniel; Hixon, Ray

2015-01-01

The External Verification Analysis approach to code verification is extended to solve the three-dimensional Navier-Stokes equations with constant properties, and is used to verify a high-order computational aeroacoustics (CAA) code. After a brief review of the relevant literature, the details of the EVA approach are presented and compared to the similar Method of Manufactured Solutions (MMS). Pseudocode representations of EVA's algorithms are included, along with the recurrence relations needed to construct the EVA solution. The code verification results show that EVA was able to convincingly verify a high-order, viscous CAA code without the addition of MMS-style source terms, or any other modifications to the code.

Verification of a Viscous Computational Aeroacoustics Code Using External Verification Analysis

NASA Technical Reports Server (NTRS)

Ingraham, Daniel; Hixon, Ray

2015-01-01

The External Verification Analysis approach to code verification is extended to solve the three-dimensional Navier-Stokes equations with constant properties, and is used to verify a high-order computational aeroacoustics (CAA) code. After a brief review of the relevant literature, the details of the EVA approach are presented and compared to the similar Method of Manufactured Solutions (MMS). Pseudocode representations of EVA's algorithms are included, along with the recurrence relations needed to construct the EVA solution. The code verification results show that EVA was able to convincingly verify a high-order, viscous CAA code without the addition of MMS-style source terms, or any other modifications to the code.

Computer Simulation of the VASIMR Engine

NASA Technical Reports Server (NTRS)

Garrison, David

2005-01-01

The goal of this project is to develop a magneto-hydrodynamic (MHD) computer code for simulation of the VASIMR engine. This code is designed be easy to modify and use. We achieve this using the Cactus framework, a system originally developed for research in numerical relativity. Since its release, Cactus has become an extremely powerful and flexible open source framework. The development of the code will be done in stages, starting with a basic fluid dynamic simulation and working towards a more complex MHD code. Once developed, this code can be used by students and researchers in order to further test and improve the VASIMR engine.

Modern Teaching Methods in Physics with the Aid of Original Computer Codes and Graphical Representations

ERIC Educational Resources Information Center

Ivanov, Anisoara; Neacsu, Andrei

2011-01-01

This study describes the possibility and advantages of utilizing simple computer codes to complement the teaching techniques for high school physics. The authors have begun working on a collection of open source programs which allow students to compare the results and graphics from classroom exercises with the correct solutions and further more to…

Calculation of two-dimensional inlet flow fields in a supersonic free stream: Program documentation and test cases

NASA Technical Reports Server (NTRS)

Biringen, S. H.; Mcmillan, O. J.

1980-01-01

The use of a computer code for the calculation of two dimensional inlet flow fields in a supersonic free stream and a nonorthogonal mesh-generation code are illustrated by specific examples. Input, output, and program operation and use are given and explained for the case of supercritical inlet operation at a subdesign Mach number (M Mach free stream = 2.09) for an isentropic-compression, drooped-cowl inlet. Source listings of the computer codes are also provided.

Plasma Separation Process: Betacell (BCELL) code: User's manual. [Bipolar barrier junction

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

Taherzadeh, M.

1987-11-13

The emergence of clearly defined applications for (small or large) amounts of long-life and reliable power sources has given the design and production of betavoltaic systems a new life. Moreover, because of the availability of the plasma separation program, (PSP) at TRW, it is now possible to separate the most desirable radioisotopes for betacell power generating devices. A computer code, named BCELL, has been developed to model the betavoltaic concept by utilizing the available up-to-date source/cell parameters. In this program, attempts have been made to determine the betacell energy device maximum efficiency, degradation due to the emitting source radiation andmore » source/cell lifetime power reduction processes. Additionally, comparison is made between the Schottky and PN junction devices for betacell battery design purposes. Certain computer code runs have been made to determine the JV distribution function and the upper limit of the betacell generated power for specified energy sources. A Ni beta emitting radioisotope was used for the energy source and certain semiconductors were used for the converter subsystem of the betacell system. Some results for a Promethium source are also given here for comparison. 16 refs.« less

Slow Impacts on Strong Targets Bring on the Heat

NASA Astrophysics Data System (ADS)

Melosh, H. J.; Ivanov, B. A.

2018-03-01

An important new paper by Kurosawa and Genda (2017, https://doi.org/10.1002/2017GL076285) reports a previously overlooked source of heating in low velocity meteorite impacts. Plastic deformation of the pressure-strengthened rocks behind the shock front dissipates energy, which appears as heat in addition to that generated across the shock wave itself. This heat source has surprisingly escaped explicit attention for decades: First, because it is minimized in the geometry typically chosen for laboratory experiments; and second because it is most important in rocks, and less so for the metals usually used in experiments. Nevertheless, modern numerical computer codes that include strength do compute this heating correctly. This raises the philosophical question of whether we can claim to understand some process just because our computer codes compute the results correctly.

Supersonic propulsion simulation by incorporating component models in the large perturbation inlet (LAPIN) computer code

NASA Technical Reports Server (NTRS)

Cole, Gary L.; Richard, Jacques C.

1991-01-01

An approach to simulating the internal flows of supersonic propulsion systems is presented. The approach is based on a fairly simple modification of the Large Perturbation Inlet (LAPIN) computer code. LAPIN uses a quasi-one dimensional, inviscid, unsteady formulation of the continuity, momentum, and energy equations. The equations are solved using a shock capturing, finite difference algorithm. The original code, developed for simulating supersonic inlets, includes engineering models of unstart/restart, bleed, bypass, and variable duct geometry, by means of source terms in the equations. The source terms also provide a mechanism for incorporating, with the inlet, propulsion system components such as compressor stages, combustors, and turbine stages. This requires each component to be distributed axially over a number of grid points. Because of the distributed nature of such components, this representation should be more accurate than a lumped parameter model. Components can be modeled by performance map(s), which in turn are used to compute the source terms. The general approach is described. Then, simulation of a compressor/fan stage is discussed to show the approach in detail.

Time-dependent jet flow and noise computations

NASA Technical Reports Server (NTRS)

Berman, C. H.; Ramos, J. I.; Karniadakis, G. E.; Orszag, S. A.

1990-01-01

Methods for computing jet turbulence noise based on the time-dependent solution of Lighthill's (1952) differential equation are demonstrated. A key element in this approach is a flow code for solving the time-dependent Navier-Stokes equations at relatively high Reynolds numbers. Jet flow results at Re = 10,000 are presented here. This code combines a computationally efficient spectral element technique and a new self-consistent turbulence subgrid model to supply values for Lighthill's turbulence noise source tensor.

Doclet To Synthesize UML

NASA Technical Reports Server (NTRS)

Barry, Matthew R.; Osborne, Richard N.

2005-01-01

The RoseDoclet computer program extends the capability of Java doclet software to automatically synthesize Unified Modeling Language (UML) content from Java language source code. [Doclets are Java-language programs that use the doclet application programming interface (API) to specify the content and format of the output of Javadoc. Javadoc is a program, originally designed to generate API documentation from Java source code, now also useful as an extensible engine for processing Java source code.] RoseDoclet takes advantage of Javadoc comments and tags already in the source code to produce a UML model of that code. RoseDoclet applies the doclet API to create a doclet passed to Javadoc. The Javadoc engine applies the doclet to the source code, emitting the output format specified by the doclet. RoseDoclet emits a Rose model file and populates it with fully documented packages, classes, methods, variables, and class diagrams identified in the source code. The way in which UML models are generated can be controlled by use of new Javadoc comment tags that RoseDoclet provides. The advantage of using RoseDoclet is that Javadoc documentation becomes leveraged for two purposes: documenting the as-built API and keeping the design documentation up to date.

SKYSINE-II procedure: calculation of the effects of structure design on neutron, primary gamma-ray and secondary gamma-ray dose rates in air

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

Lampley, C.M.

1979-01-01

An updated version of the SKYSHINE Monte Carlo procedure has been developed. The new computer code, SKYSHINE-II, provides a substantial increase in versatility in that the program possesses the ability to address three types of point-isotropic radiation sources: (1) primary gamma rays, (2) neutrons, and (3) secondary gamma rays. In addition, the emitted radiation may now be characterized by an energy emission spectrum product of a new energy-dependent atmospheric transmission data base developed by Radiation Research Associates, Inc. for each of the three source types described above. Most of the computational options present in the original program have been retainedmore » in the new version. Hence, the SKYSHINE-II computer code provides a versatile and viable tool for the analysis of the radiation environment in the vicinity of a building structure containing radiation sources, situated within the confines of a nuclear power plant. This report describes many of the calculational methods employed within the SKYSHINE-II program. A brief description of the new data base is included. Utilization instructions for the program are provided for operation of the SKYSHINE-II code on the Brookhaven National Laboratory Central Scientific Computing Facility. A listing of the source decks, block data routines, and the new atmospheric transmission data base are provided in the appendices of the report.« less

Code CUGEL: A code to unfold Ge(Li) spectrometer polyenergetic gamma photon experimental distributions

NASA Technical Reports Server (NTRS)

Steyn, J. J.; Born, U.

1970-01-01

A FORTRAN code was developed for the Univac 1108 digital computer to unfold lithium-drifted germanium semiconductor spectrometers, polyenergetic gamma photon experimental distributions. It was designed to analyze the combination continuous and monoenergetic gamma radiation field of radioisotope volumetric sources. The code generates the detector system response matrix function and applies it to monoenergetic spectral components discretely and to the continuum iteratively. It corrects for system drift, source decay, background, and detection efficiency. Results are presented in digital form for differential and integrated photon number and energy distributions, and for exposure dose.

Support for Debugging Automatically Parallelized Programs

NASA Technical Reports Server (NTRS)

Hood, Robert; Jost, Gabriele

2001-01-01

This viewgraph presentation provides information on support sources available for the automatic parallelization of computer program. CAPTools, a support tool developed at the University of Greenwich, transforms, with user guidance, existing sequential Fortran code into parallel message passing code. Comparison routines are then run for debugging purposes, in essence, ensuring that the code transformation was accurate.

Computation of Reacting Flows in Combustion Processes

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Chen, Kuo-Huey

1997-01-01

The main objective of this research was to develop an efficient three-dimensional computer code for chemically reacting flows. The main computer code developed is ALLSPD-3D. The ALLSPD-3D computer program is developed for the calculation of three-dimensional, chemically reacting flows with sprays. The ALL-SPD code employs a coupled, strongly implicit solution procedure for turbulent spray combustion flows. A stochastic droplet model and an efficient method for treatment of the spray source terms in the gas-phase equations are used to calculate the evaporating liquid sprays. The chemistry treatment in the code is general enough that an arbitrary number of reaction and species can be defined by the users. Also, it is written in generalized curvilinear coordinates with both multi-block and flexible internal blockage capabilities to handle complex geometries. In addition, for general industrial combustion applications, the code provides both dilution and transpiration cooling capabilities. The ALLSPD algorithm, which employs the preconditioning and eigenvalue rescaling techniques, is capable of providing efficient solution for flows with a wide range of Mach numbers. Although written for three-dimensional flows in general, the code can be used for two-dimensional and axisymmetric flow computations as well. The code is written in such a way that it can be run in various computer platforms (supercomputers, workstations and parallel processors) and the GUI (Graphical User Interface) should provide a user-friendly tool in setting up and running the code.

MATLAB-based algorithm to estimate depths of isolated thin dike-like sources using higher-order horizontal derivatives of magnetic anomalies.

PubMed

Ekinci, Yunus Levent

2016-01-01

This paper presents an easy-to-use open source computer algorithm (code) for estimating the depths of isolated single thin dike-like source bodies by using numerical second-, third-, and fourth-order horizontal derivatives computed from observed magnetic anomalies. The approach does not require a priori information and uses some filters of successive graticule spacings. The computed higher-order horizontal derivative datasets are used to solve nonlinear equations for depth determination. The solutions are independent from the magnetization and ambient field directions. The practical usability of the developed code, designed in MATLAB R2012b (MathWorks Inc.), was successfully examined using some synthetic simulations with and without noise. The algorithm was then used to estimate the depths of some ore bodies buried in different regions (USA, Sweden, and Canada). Real data tests clearly indicated that the obtained depths are in good agreement with those of previous studies and drilling information. Additionally, a state-of-the-art inversion scheme based on particle swarm optimization produced comparable results to those of the higher-order horizontal derivative analyses in both synthetic and real anomaly cases. Accordingly, the proposed code is verified to be useful in interpreting isolated single thin dike-like magnetized bodies and may be an alternative processing technique. The open source code can be easily modified and adapted to suit the benefits of other researchers.

Network Coding for Function Computation

ERIC Educational Resources Information Center

Appuswamy, Rathinakumar

2011-01-01

In this dissertation, the following "network computing problem" is considered. Source nodes in a directed acyclic network generate independent messages and a single receiver node computes a target function f of the messages. The objective is to maximize the average number of times f can be computed per network usage, i.e., the "computing…

Drekar v.2.0

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

Seefeldt, Ben; Sondak, David; Hensinger, David M.

Drekar is an application code that solves partial differential equations for fluids that can be optionally coupled to electromagnetics. Drekar solves low-mach compressible and incompressible computational fluid dynamics (CFD), compressible and incompressible resistive magnetohydrodynamics (MHD), and multiple species plasmas interacting with electromagnetic fields. Drekar discretization technology includes continuous and discontinuous finite element formulations, stabilized finite element formulations, mixed integration finite element bases (nodal, edge, face, volume) and an initial arbitrary Lagrangian Eulerian (ALE) capability. Drekar contains the implementation of the discretized physics and leverages the open source Trilinos project for both parallel solver capabilities and general finite element discretization tools.more » The code will be released open source under a BSD license. The code is used for fundamental research for simulation of fluids and plasmas on high performance computing environments.« less

Software for Computing, Archiving, and Querying Semisimple Braided Monoidal Category Data

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

This software package collects various open source and freely available codes and algorithms to compute and archive the categorical data for certain semisimple braided monoidal categories. In particular, it computes the data for of group theoretical categories for academic research.

Evolutionary trends in directional hearing

PubMed Central

Carr, Catherine E.; Christensen-Dalsgaard, Jakob

2016-01-01

Tympanic hearing is a true evolutionary novelty that arose in parallel within early tetrapods. We propose that in these tetrapods, selection for sound localization in air acted upon pre-existing directionally sensitive brainstem circuits, similar to those in fishes. Auditory circuits in birds and lizards resemble this ancestral, directionally sensitive framework. Despite this anatomically similarity, coding of sound source location differs between birds and lizards. In birds, brainstem circuits compute sound location from interaural cues. Lizards, however, have coupled ears, and do not need to compute source location in the brain. Thus their neural processing of sound direction differs, although all show mechanisms for enhancing sound source directionality. Comparisons with mammals reveal similarly complex interactions between coding strategies and evolutionary history. PMID:27448850

Spectral-Element Seismic Wave Propagation Codes for both Forward Modeling in Complex Media and Adjoint Tomography

NASA Astrophysics Data System (ADS)

Smith, J. A.; Peter, D. B.; Tromp, J.; Komatitsch, D.; Lefebvre, M. P.

2015-12-01

We present both SPECFEM3D_Cartesian and SPECFEM3D_GLOBE open-source codes, representing high-performance numerical wave solvers simulating seismic wave propagation for local-, regional-, and global-scale application. These codes are suitable for both forward propagation in complex media and tomographic imaging. Both solvers compute highly accurate seismic wave fields using the continuous Galerkin spectral-element method on unstructured meshes. Lateral variations in compressional- and shear-wave speeds, density, as well as 3D attenuation Q models, topography and fluid-solid coupling are all readily included in both codes. For global simulations, effects due to rotation, ellipticity, the oceans, 3D crustal models, and self-gravitation are additionally included. Both packages provide forward and adjoint functionality suitable for adjoint tomography on high-performance computing architectures. We highlight the most recent release of the global version which includes improved performance, simultaneous MPI runs, OpenCL and CUDA support via an automatic source-to-source transformation library (BOAST), parallel I/O readers and writers for databases using ADIOS and seismograms using the recently developed Adaptable Seismic Data Format (ASDF) with built-in provenance. This makes our spectral-element solvers current state-of-the-art, open-source community codes for high-performance seismic wave propagation on arbitrarily complex 3D models. Together with these solvers, we provide full-waveform inversion tools to image the Earth's interior at unprecedented resolution.

User's manual: Subsonic/supersonic advanced panel pilot code

NASA Technical Reports Server (NTRS)

Moran, J.; Tinoco, E. N.; Johnson, F. T.

1978-01-01

Sufficient instructions for running the subsonic/supersonic advanced panel pilot code were developed. This software was developed as a vehicle for numerical experimentation and it should not be construed to represent a finished production program. The pilot code is based on a higher order panel method using linearly varying source and quadratically varying doublet distributions for computing both linearized supersonic and subsonic flow over arbitrary wings and bodies. This user's manual contains complete input and output descriptions. A brief description of the method is given as well as practical instructions for proper configurations modeling. Computed results are also included to demonstrate some of the capabilities of the pilot code. The computer program is written in FORTRAN IV for the SCOPE 3.4.4 operations system of the Ames CDC 7600 computer. The program uses overlay structure and thirteen disk files, and it requires approximately 132000 (Octal) central memory words.

Coding conventions and principles for a National Land-Change Modeling Framework

USGS Publications Warehouse

Donato, David I.

2017-07-14

This report establishes specific rules for writing computer source code for use with the National Land-Change Modeling Framework (NLCMF). These specific rules consist of conventions and principles for writing code primarily in the C and C++ programming languages. Collectively, these coding conventions and coding principles create an NLCMF programming style. In addition to detailed naming conventions, this report provides general coding conventions and principles intended to facilitate the development of high-performance software implemented with code that is extensible, flexible, and interoperable. Conventions for developing modular code are explained in general terms and also enabled and demonstrated through the appended templates for C++ base source-code and header files. The NLCMF limited-extern approach to module structure, code inclusion, and cross-module access to data is both explained in the text and then illustrated through the module templates. Advice on the use of global variables is provided.

Replacing effective spectral radiance by temperature in occupational exposure limits to protect against retinal thermal injury from light and near IR radiation.

PubMed

Madjidi, Faramarz; Behroozy, Ali

2014-01-01

Exposure to visible light and near infrared (NIR) radiation in the wavelength region of 380 to 1400 nm may cause thermal retinal injury. In this analysis, the effective spectral radiance of a hot source is replaced by its temperature in the exposure limit values in the region of 380-1400 nm. This article describes the development and implementation of a computer code to predict those temperatures, corresponding to the exposure limits proposed by the American Conference of Governmental Industrial Hygienists (ACGIH). Viewing duration and apparent diameter of the source were inputs for the computer code. At the first stage, an infinite series was created for calculation of spectral radiance by integration with Planck's law. At the second stage for calculation of effective spectral radiance, the initial terms of this infinite series were selected and integration was performed by multiplying these terms by a weighting factor R(λ) in the wavelength region 380-1400 nm. At the third stage, using a computer code, the source temperature that can emit the same effective spectral radiance was found. As a result, based only on measuring the source temperature and accounting for the exposure time and the apparent diameter of the source, it is possible to decide whether the exposure to visible and NIR in any 8-hr workday is permissible. The substitution of source temperature for effective spectral radiance provides a convenient way to evaluate exposure to visible light and NIR.

Review of particle-in-cell modeling for the extraction region of large negative hydrogen ion sources for fusion

NASA Astrophysics Data System (ADS)

Wünderlich, D.; Mochalskyy, S.; Montellano, I. M.; Revel, A.

2018-05-01

Particle-in-cell (PIC) codes are used since the early 1960s for calculating self-consistently the motion of charged particles in plasmas, taking into account external electric and magnetic fields as well as the fields created by the particles itself. Due to the used very small time steps (in the order of the inverse plasma frequency) and mesh size, the computational requirements can be very high and they drastically increase with increasing plasma density and size of the calculation domain. Thus, usually small computational domains and/or reduced dimensionality are used. In the last years, the available central processing unit (CPU) power strongly increased. Together with a massive parallelization of the codes, it is now possible to describe in 3D the extraction of charged particles from a plasma, using calculation domains with an edge length of several centimeters, consisting of one extraction aperture, the plasma in direct vicinity of the aperture, and a part of the extraction system. Large negative hydrogen or deuterium ion sources are essential parts of the neutral beam injection (NBI) system in future fusion devices like the international fusion experiment ITER and the demonstration reactor (DEMO). For ITER NBI RF driven sources with a source area of 0.9 × 1.9 m2 and 1280 extraction apertures will be used. The extraction of negative ions is accompanied by the co-extraction of electrons which are deflected onto an electron dump. Typically, the maximum negative extracted ion current is limited by the amount and the temporal instability of the co-extracted electrons, especially for operation in deuterium. Different PIC codes are available for the extraction region of large driven negative ion sources for fusion. Additionally, some effort is ongoing in developing codes that describe in a simplified manner (coarser mesh or reduced dimensionality) the plasma of the whole ion source. The presentation first gives a brief overview of the current status of the ion source development for ITER NBI and of the PIC method. Different PIC codes for the extraction region are introduced as well as the coupling to codes describing the whole source (PIC codes or fluid codes). Presented and discussed are different physical and numerical aspects of applying PIC codes to negative hydrogen ion sources for fusion as well as selected code results. The main focus of future calculations will be the meniscus formation and identifying measures for reducing the co-extracted electrons, in particular for deuterium operation. The recent results of the 3D PIC code ONIX (calculation domain: one extraction aperture and its vicinity) for the ITER prototype source (1/8 size of the ITER NBI source) are presented.

Accelerating execution of the integrated TIGER series Monte Carlo radiation transport codes

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

Smith, L.M.; Hochstedler, R.D.

1997-02-01

Execution of the integrated TIGER series (ITS) of coupled electron/photon Monte Carlo radiation transport codes has been accelerated by modifying the FORTRAN source code for more efficient computation. Each member code of ITS was benchmarked and profiled with a specific test case that directed the acceleration effort toward the most computationally intensive subroutines. Techniques for accelerating these subroutines included replacing linear search algorithms with binary versions, replacing the pseudo-random number generator, reducing program memory allocation, and proofing the input files for geometrical redundancies. All techniques produced identical or statistically similar results to the original code. Final benchmark timing of themore » accelerated code resulted in speed-up factors of 2.00 for TIGER (the one-dimensional slab geometry code), 1.74 for CYLTRAN (the two-dimensional cylindrical geometry code), and 1.90 for ACCEPT (the arbitrary three-dimensional geometry code).« less

Prediction of sound radiated from different practical jet engine inlets

NASA Technical Reports Server (NTRS)

Zinn, B. T.; Meyer, W. L.

1980-01-01

Existing computer codes for calculating the far field radiation patterns surrounding various practical jet engine inlet configurations under different excitation conditions were upgraded. The computer codes were refined and expanded so that they are now more efficient computationally by a factor of about three and they are now capable of producing accurate results up to nondimensional wave numbers of twenty. Computer programs were also developed to help generate accurate geometrical representations of the inlets to be investigated. This data is required as input for the computer programs which calculate the sound fields. This new geometry generating computer program considerably reduces the time required to generate the input data which was one of the most time consuming steps in the process. The results of sample runs using the NASA-Lewis QCSEE inlet are presented and comparison of run times and accuracy are made between the old and upgraded computer codes. The overall accuracy of the computations is determined by comparison of the results of the computations with simple source solutions.

A computer program for processing impedance cardiographic data: Improving accuracy through user-interactive software

NASA Technical Reports Server (NTRS)

Cowings, Patricia S.; Naifeh, Karen; Thrasher, Chet

1988-01-01

This report contains the source code and documentation for a computer program used to process impedance cardiography data. The cardiodynamic measures derived from impedance cardiography are ventricular stroke column, cardiac output, cardiac index and Heather index. The program digitizes data collected from the Minnesota Impedance Cardiograph, Electrocardiography (ECG), and respiratory cycles and then stores these data on hard disk. It computes the cardiodynamic functions using interactive graphics and stores the means and standard deviations of each 15-sec data epoch on floppy disk. This software was designed on a Digital PRO380 microcomputer and used version 2.0 of P/OS, with (minimally) a 4-channel 16-bit analog/digital (A/D) converter. Applications software is written in FORTRAN 77, and uses Digital's Pro-Tool Kit Real Time Interface Library, CORE Graphic Library, and laboratory routines. Source code can be readily modified to accommodate alternative detection, A/D conversion and interactive graphics. The object code utilizing overlays and multitasking has a maximum of 50 Kbytes.

Modeling the Volcanic Source at Long Valley, CA, Using a Genetic Algorithm Technique

NASA Technical Reports Server (NTRS)

Tiampo, Kristy F.

1999-01-01

In this project, we attempted to model the deformation pattern due to the magmatic source at Long Valley caldera using a real-value coded genetic algorithm (GA) inversion similar to that found in Michalewicz, 1992. The project has been both successful and rewarding. The genetic algorithm, coded in the C programming language, performs stable inversions over repeated trials, with varying initial and boundary conditions. The original model used a GA in which the geophysical information was coded into the fitness function through the computation of surface displacements for a Mogi point source in an elastic half-space. The program was designed to invert for a spherical magmatic source - its depth, horizontal location and volume - using the known surface deformations. It also included the capability of inverting for multiple sources.

Technology Infusion of CodeSonar into the Space Network Ground Segment

NASA Technical Reports Server (NTRS)

Benson, Markland J.

2009-01-01

This slide presentation reviews the applicability of CodeSonar to the Space Network software. CodeSonar is a commercial off the shelf system that analyzes programs written in C, C++ or Ada for defects in the code. Software engineers use CodeSonar results as an input to the existing source code inspection process. The study is focused on large scale software developed using formal processes. The systems studied are mission critical in nature but some use commodity computer systems.

Numerical Electromagnetic Code (NEC)-Basic Scattering Code. Part I. User’s Manual.

DTIC Science & Technology

1979-09-01

Command RT : 29 I. Command PG: 32 J. Command GP: 35 K. Command CG: 36 L. Command SG: 39 M. Command AM: 44 N. Conumand PR: 48 0. Command NP: 49 P...these points and con- firm the validity of the solution. 1 0 1 -.- ’----.- ... The source presently considered in the computer code is an Plec - tric...Range Input 28 * RT : Translate and/or Rotate Coordinates 29 SG: Source Geometry Input IQ TO: Test Data Generation Options 17 [IN: Units of Input U)S

Digital Image Correlation Engine

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

Turner, Dan; Crozier, Paul; Reu, Phil

DICe is an open source digital image correlation (DIC) tool intended for use as a module in an external application or as a standalone analysis code. It's primary capability is computing full-field displacements and strains from sequences of digital These images are typically of a material sample undergoing a materials characterization experiment, but DICe is also useful for other applications (for example, trajectory tracking). DICe is machine portable (Windows, Linux and Mac) and can be effectively deployed on a high performance computing platform. Capabilities from DICe can be invoked through a library interface, via source code integration of DICe classesmore » or through a graphical user interface.« less

Applying Standard Interfaces to a Process-Control Language

NASA Technical Reports Server (NTRS)

Berthold, Richard T.

2005-01-01

A method of applying open-operating-system standard interfaces to the NASA User Interface Language (UIL) has been devised. UIL is a computing language that can be used in monitoring and controlling automated processes: for example, the Timeliner computer program, written in UIL, is a general-purpose software system for monitoring and controlling sequences of automated tasks in a target system. In providing the major elements of connectivity between UIL and the target system, the present method offers advantages over the prior method. Most notably, unlike in the prior method, the software description of the target system can be made independent of the applicable compiler software and need not be linked to the applicable executable compiler image. Also unlike in the prior method, it is not necessary to recompile the source code and relink the source code to a new executable compiler image. Abstraction of the description of the target system to a data file can be defined easily, with intuitive syntax, and knowledge of the source-code language is not needed for the definition.

ACON: a multipurpose production controller for plasma physics codes

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

Snell, C.

1983-01-01

ACON is a BCON controller designed to run large production codes on the CTSS Cray-1 or the LTSS 7600 computers. ACON can also be operated interactively, with input from the user's terminal. The controller can run one code or a sequence of up to ten codes during the same job. Options are available to get and save Mass storage files, to perform Historian file updating operations, to compile and load source files, and to send out print and film files. Special features include ability to retry after Mass failures, backup options for saving files, startup messages for the various codes,more » and ability to reserve specified amounts of computer time after successive code runs. ACON's flexibility and power make it useful for running a number of different production codes.« less

A Counterexample Guided Abstraction Refinement Framework for Verifying Concurrent C Programs

DTIC Science & Technology

2005-05-24

source code are routinely executed. The source code is written in languages ranging from C/C++/Java to ML/ Ocaml . These languages differ not only in...from the difficulty to model computer programs—due to the complexity of programming languages as compared to hardware description languages —to...intermediate specification language lying between high-level Statechart- like formalisms and transition systems. Actions are encoded as changes in

Scoping Calculations of Power Sources for Nuclear Electric Propulsion

NASA Technical Reports Server (NTRS)

Difilippo, F. C.

1994-01-01

This technical memorandum describes models and calculational procedures to fully characterize the nuclear island of power sources for nuclear electric propulsion. Two computer codes were written: one for the gas-cooled NERVA derivative reactor and the other for liquid metal-cooled fuel pin reactors. These codes are going to be interfaced by NASA with the balance of plant in order to make scoping calculations for mission analysis.

SAP- FORTRAN STATIC SOURCE CODE ANALYZER PROGRAM (IBM VERSION)

NASA Technical Reports Server (NTRS)

Manteufel, R.

1994-01-01

The FORTRAN Static Source Code Analyzer program, SAP, was developed to automatically gather statistics on the occurrences of statements and structures within a FORTRAN program and to provide for the reporting of those statistics. Provisions have been made for weighting each statistic and to provide an overall figure of complexity. Statistics, as well as figures of complexity, are gathered on a module by module basis. Overall summed statistics are also accumulated for the complete input source file. SAP accepts as input syntactically correct FORTRAN source code written in the FORTRAN 77 standard language. In addition, code written using features in the following languages is also accepted: VAX-11 FORTRAN, IBM S/360 FORTRAN IV Level H Extended; and Structured FORTRAN. The SAP program utilizes two external files in its analysis procedure. A keyword file allows flexibility in classifying statements and in marking a statement as either executable or non-executable. A statistical weight file allows the user to assign weights to all output statistics, thus allowing the user flexibility in defining the figure of complexity. The SAP program is written in FORTRAN IV for batch execution and has been implemented on a DEC VAX series computer under VMS and on an IBM 370 series computer under MVS. The SAP program was developed in 1978 and last updated in 1985.

SAP- FORTRAN STATIC SOURCE CODE ANALYZER PROGRAM (DEC VAX VERSION)

NASA Technical Reports Server (NTRS)

Merwarth, P. D.

1994-01-01

The FORTRAN Static Source Code Analyzer program, SAP, was developed to automatically gather statistics on the occurrences of statements and structures within a FORTRAN program and to provide for the reporting of those statistics. Provisions have been made for weighting each statistic and to provide an overall figure of complexity. Statistics, as well as figures of complexity, are gathered on a module by module basis. Overall summed statistics are also accumulated for the complete input source file. SAP accepts as input syntactically correct FORTRAN source code written in the FORTRAN 77 standard language. In addition, code written using features in the following languages is also accepted: VAX-11 FORTRAN, IBM S/360 FORTRAN IV Level H Extended; and Structured FORTRAN. The SAP program utilizes two external files in its analysis procedure. A keyword file allows flexibility in classifying statements and in marking a statement as either executable or non-executable. A statistical weight file allows the user to assign weights to all output statistics, thus allowing the user flexibility in defining the figure of complexity. The SAP program is written in FORTRAN IV for batch execution and has been implemented on a DEC VAX series computer under VMS and on an IBM 370 series computer under MVS. The SAP program was developed in 1978 and last updated in 1985.

Numerical Predictions of Mode Reflections in an Open Circular Duct: Comparison with Theory

NASA Technical Reports Server (NTRS)

Dahl, Milo D.; Hixon, Ray

2015-01-01

The NASA Broadband Aeroacoustic Stator Simulation code was used to compute the acoustic field for higher-order modes in a circular duct geometry. To test the accuracy of the results computed by the code, the duct was terminated by an open end with an infinite flange or no flange. Both open end conditions have a theoretical solution that was used to compare with the computed results. Excellent comparison for reflection matrix values was achieved after suitable refinement of the grid at the open end. The study also revealed issues with the level of the mode amplitude introduced into the acoustic held from the source boundary and the amount of reflection that occurred at the source boundary when a general nonreflecting boundary condition was applied.

Fast space-varying convolution using matrix source coding with applications to camera stray light reduction.

PubMed

Wei, Jianing; Bouman, Charles A; Allebach, Jan P

2014-05-01

Many imaging applications require the implementation of space-varying convolution for accurate restoration and reconstruction of images. Here, we use the term space-varying convolution to refer to linear operators whose impulse response has slow spatial variation. In addition, these space-varying convolution operators are often dense, so direct implementation of the convolution operator is typically computationally impractical. One such example is the problem of stray light reduction in digital cameras, which requires the implementation of a dense space-varying deconvolution operator. However, other inverse problems, such as iterative tomographic reconstruction, can also depend on the implementation of dense space-varying convolution. While space-invariant convolution can be efficiently implemented with the fast Fourier transform, this approach does not work for space-varying operators. So direct convolution is often the only option for implementing space-varying convolution. In this paper, we develop a general approach to the efficient implementation of space-varying convolution, and demonstrate its use in the application of stray light reduction. Our approach, which we call matrix source coding, is based on lossy source coding of the dense space-varying convolution matrix. Importantly, by coding the transformation matrix, we not only reduce the memory required to store it; we also dramatically reduce the computation required to implement matrix-vector products. Our algorithm is able to reduce computation by approximately factoring the dense space-varying convolution operator into a product of sparse transforms. Experimental results show that our method can dramatically reduce the computation required for stray light reduction while maintaining high accuracy.

The pros and cons of code validation

NASA Technical Reports Server (NTRS)

Bobbitt, Percy J.

1988-01-01

Computational and wind tunnel error sources are examined and quantified using specific calculations of experimental data, and a substantial comparison of theoretical and experimental results, or a code validation, is discussed. Wind tunnel error sources considered include wall interference, sting effects, Reynolds number effects, flow quality and transition, and instrumentation such as strain gage balances, electronically scanned pressure systems, hot film gages, hot wire anemometers, and laser velocimeters. Computational error sources include math model equation sets, the solution algorithm, artificial viscosity/dissipation, boundary conditions, the uniqueness of solutions, grid resolution, turbulence modeling, and Reynolds number effects. It is concluded that, although improvements in theory are being made more quickly than in experiments, wind tunnel research has the advantage of the more realistic transition process of a right turbulence model in a free-transition test.

Method and system for efficient video compression with low-complexity encoder

NASA Technical Reports Server (NTRS)

Chen, Jun (Inventor); He, Dake (Inventor); Sheinin, Vadim (Inventor); Jagmohan, Ashish (Inventor); Lu, Ligang (Inventor)

2012-01-01

Disclosed are a method and system for video compression, wherein the video encoder has low computational complexity and high compression efficiency. The disclosed system comprises a video encoder and a video decoder, wherein the method for encoding includes the steps of converting a source frame into a space-frequency representation; estimating conditional statistics of at least one vector of space-frequency coefficients; estimating encoding rates based on the said conditional statistics; and applying Slepian-Wolf codes with the said computed encoding rates. The preferred method for decoding includes the steps of; generating a side-information vector of frequency coefficients based on previously decoded source data, encoder statistics, and previous reconstructions of the source frequency vector; and performing Slepian-Wolf decoding of at least one source frequency vector based on the generated side-information, the Slepian-Wolf code bits and the encoder statistics.

Computational Infrastructure for Geodynamics (CIG)

NASA Astrophysics Data System (ADS)

Gurnis, M.; Kellogg, L. H.; Bloxham, J.; Hager, B. H.; Spiegelman, M.; Willett, S.; Wysession, M. E.; Aivazis, M.

2004-12-01

Solid earth geophysicists have a long tradition of writing scientific software to address a wide range of problems. In particular, computer simulations came into wide use in geophysics during the decade after the plate tectonic revolution. Solution schemes and numerical algorithms that developed in other areas of science, most notably engineering, fluid mechanics, and physics, were adapted with considerable success to geophysics. This software has largely been the product of individual efforts and although this approach has proven successful, its strength for solving problems of interest is now starting to show its limitations as we try to share codes and algorithms or when we want to recombine codes in novel ways to produce new science. With funding from the NSF, the US community has embarked on a Computational Infrastructure for Geodynamics (CIG) that will develop, support, and disseminate community-accessible software for the greater geodynamics community from model developers to end-users. The software is being developed for problems involving mantle and core dynamics, crustal and earthquake dynamics, magma migration, seismology, and other related topics. With a high level of community participation, CIG is leveraging state-of-the-art scientific computing into a suite of open-source tools and codes. The infrastructure that we are now starting to develop will consist of: (a) a coordinated effort to develop reusable, well-documented and open-source geodynamics software; (b) the basic building blocks - an infrastructure layer - of software by which state-of-the-art modeling codes can be quickly assembled; (c) extension of existing software frameworks to interlink multiple codes and data through a superstructure layer; (d) strategic partnerships with the larger world of computational science and geoinformatics; and (e) specialized training and workshops for both the geodynamics and broader Earth science communities. The CIG initiative has already started to leverage and develop long-term strategic partnerships with open source development efforts within the larger thrusts of scientific computing and geoinformatics. These strategic partnerships are essential as the frontier has moved into multi-scale and multi-physics problems in which many investigators now want to use simulation software for data interpretation, data assimilation, and hypothesis testing.

Field estimates of gravity terrain corrections and Y2K-compatible method to convert from gravity readings with multiple base stations to tide- and long-term drift-corrected observations

USGS Publications Warehouse

Plouff, Donald

2000-01-01

Gravity observations are directly made or are obtained from other sources by the U.S. Geological Survey in order to prepare maps of the anomalous gravity field and consequently to interpret the subsurface distribution of rock densities and associated lithologic or geologic units. Observations are made in the field with gravity meters at new locations and at reoccupations of previously established gravity "stations." This report illustrates an interactively-prompted series of steps needed to convert gravity "readings" to values that are tied to established gravity datums and includes computer programs to implement those steps. Inasmuch as individual gravity readings have small variations, gravity-meter (instrument) drift may not be smoothly variable, and acommodations may be needed for ties to previously established stations, the reduction process is iterative. Decision-making by the program user is prompted by lists of best values and graphical displays. Notes about irregularities of topography, which affect the value of observed gravity but are not shown in sufficient detail on topographic maps, must be recorded in the field. This report illustrates ways to record field notes (distances, heights, and slope angles) and includes computer programs to convert field notes to gravity terrain corrections. This report includes approaches that may serve as models for other applications, for example: portrayal of system flow; style of quality control to document and validate computer applications; lack of dependence on proprietary software except source code compilation; method of file-searching with a dwindling list; interactive prompting; computer code to write directly in the PostScript (Adobe Systems Incorporated) printer language; and high-lighting the four-digit year on the first line of time-dependent data sets for assured Y2K compatibility. Computer source codes provided are written in the Fortran scientific language. In order for the programs to operate, they first must be converted (compiled) into an executable form on the user's computer. Although program testing was done in a UNIX (tradename of American Telephone and Telegraph Company) computer environment, it is anticipated that only a system-dependent date-and-time function may need to be changed for adaptation to other computer platforms that accept standard Fortran code.d del iliscipit volorer sequi ting etue feum zzriliquatum zzriustrud esenibh ex esto esequat.

Authorship attribution of source code by using back propagation neural network based on particle swarm optimization

PubMed Central

Xu, Guoai; Li, Qi; Guo, Yanhui; Zhang, Miao

2017-01-01

Authorship attribution is to identify the most likely author of a given sample among a set of candidate known authors. It can be not only applied to discover the original author of plain text, such as novels, blogs, emails, posts etc., but also used to identify source code programmers. Authorship attribution of source code is required in diverse applications, ranging from malicious code tracking to solving authorship dispute or software plagiarism detection. This paper aims to propose a new method to identify the programmer of Java source code samples with a higher accuracy. To this end, it first introduces back propagation (BP) neural network based on particle swarm optimization (PSO) into authorship attribution of source code. It begins by computing a set of defined feature metrics, including lexical and layout metrics, structure and syntax metrics, totally 19 dimensions. Then these metrics are input to neural network for supervised learning, the weights of which are output by PSO and BP hybrid algorithm. The effectiveness of the proposed method is evaluated on a collected dataset with 3,022 Java files belong to 40 authors. Experiment results show that the proposed method achieves 91.060% accuracy. And a comparison with previous work on authorship attribution of source code for Java language illustrates that this proposed method outperforms others overall, also with an acceptable overhead. PMID:29095934

Flowgen: Flowchart-based documentation for C + + codes

NASA Astrophysics Data System (ADS)

Kosower, David A.; Lopez-Villarejo, J. J.

2015-11-01

We present the Flowgen tool, which generates flowcharts from annotated C + + source code. The tool generates a set of interconnected high-level UML activity diagrams, one for each function or method in the C + + sources. It provides a simple and visual overview of complex implementations of numerical algorithms. Flowgen is complementary to the widely-used Doxygen documentation tool. The ultimate aim is to render complex C + + computer codes accessible, and to enhance collaboration between programmers and algorithm or science specialists. We describe the tool and a proof-of-concept application to the VINCIA plug-in for simulating collisions at CERN's Large Hadron Collider.

VizieR Online Data Catalog: ynogkm: code for calculating time-like geodesics (Yang+, 2014)

NASA Astrophysics Data System (ADS)

Yang, X.-L.; Wang, J.-C.

2013-11-01

Here we present the source file for a new public code named ynogkm, aim on calculating the time-like geodesics in a Kerr-Newmann spacetime fast. In the code the four Boyer-Lindquis coordinates and proper time are expressed as functions of a parameter p semi-analytically, i.e., r(p), μ(p), φ(p), t(p), and σ(p), by using the Weiers- trass' and Jacobi's elliptic functions and integrals. All of the ellip- tic integrals are computed by Carlson's elliptic integral method, which guarantees the fast speed of the code.The source Fortran file ynogkm.f90 contains three modules: constants, rootfind, ellfunction, and blcoordinates. (3 data files).

Conversion of HSPF Legacy Model to a Platform-Independent, Open-Source Language

NASA Astrophysics Data System (ADS)

Heaphy, R. T.; Burke, M. P.; Love, J. T.

2015-12-01

Since its initial development over 30 years ago, the Hydrologic Simulation Program - FORTAN (HSPF) model has been used worldwide to support water quality planning and management. In the United States, HSPF receives widespread endorsement as a regulatory tool at all levels of government and is a core component of the EPA's Better Assessment Science Integrating Point and Nonpoint Sources (BASINS) system, which was developed to support nationwide Total Maximum Daily Load (TMDL) analysis. However, the model's legacy code and data management systems have limitations in their ability to integrate with modern software, hardware, and leverage parallel computing, which have left voids in optimization, pre-, and post-processing tools. Advances in technology and our scientific understanding of environmental processes that have occurred over the last 30 years mandate that upgrades be made to HSPF to allow it to evolve and continue to be a premiere tool for water resource planners. This work aims to mitigate the challenges currently facing HSPF through two primary tasks: (1) convert code to a modern widely accepted, open-source, high-performance computing (hpc) code; and (2) convert model input and output files to modern widely accepted, open-source, data model, library, and binary file format. Python was chosen as the new language for the code conversion. It is an interpreted, object-oriented, hpc code with dynamic semantics that has become one of the most popular open-source languages. While python code execution can be slow compared to compiled, statically typed programming languages, such as C and FORTRAN, the integration of Numba (a just-in-time specializing compiler) has allowed this challenge to be overcome. For the legacy model data management conversion, HDF5 was chosen to store the model input and output. The code conversion for HSPF's hydrologic and hydraulic modules has been completed. The converted code has been tested against HSPF's suite of "test" runs and shown good agreement and similar execution times while using the Numba compiler. Continued verification of the accuracy of the converted code against more complex legacy applications and improvement upon execution times by incorporating an intelligent network change detection tool is currently underway, and preliminary results will be presented.

HYPOELLIPSE; a computer program for determining local earthquake hypocentral parameters, magnitude, and first-motion pattern

USGS Publications Warehouse

Lahr, John C.

1999-01-01

This report provides Fortran source code and program manuals for HYPOELLIPSE, a computer program for determining hypocenters and magnitudes of near regional earthquakes and the ellipsoids that enclose the 68-percent confidence volumes of the computed hypocenters. HYPOELLIPSE was developed to meet the needs of U.S. Geological Survey (USGS) scientists studying crustal and sub-crustal earthquakes recorded by a sparse regional seismograph network. The program was extended to locate hypocenters of volcanic earthquakes recorded by seismographs distributed on and around the volcanic edifice, at elevations above and below the hypocenter. HYPOELLIPSE was used to locate events recorded by the USGS southern Alaska seismograph network from October 1971 to the early 1990s. Both UNIX and PC/DOS versions of the source code of the program are provided along with sample runs.

32 CFR 295.3 - Definition of OIG records.

Code of Federal Regulations, 2013 CFR

2013-07-01

..., decisions, or procedures of the OIG. Normally, computer software, including source code, object code, and... the underlying data which is processed and produced by such software and which may in some instances be stored with the software.) Exceptions to this position are outlined in § 295.4(c). (3) Anything...

32 CFR 295.3 - Definition of OIG records.

Code of Federal Regulations, 2011 CFR

2011-07-01

..., decisions, or procedures of the OIG. Normally, computer software, including source code, object code, and... the underlying data which is processed and produced by such software and which may in some instances be stored with the software.) Exceptions to this position are outlined in § 295.4(c). (3) Anything...

32 CFR 295.3 - Definition of OIG records.

Code of Federal Regulations, 2010 CFR

2010-07-01

..., decisions, or procedures of the OIG. Normally, computer software, including source code, object code, and... the underlying data which is processed and produced by such software and which may in some instances be stored with the software.) Exceptions to this position are outlined in § 295.4(c). (3) Anything...

32 CFR 295.3 - Definition of OIG records.

Code of Federal Regulations, 2014 CFR

2014-07-01

..., decisions, or procedures of the OIG. Normally, computer software, including source code, object code, and... the underlying data which is processed and produced by such software and which may in some instances be stored with the software.) Exceptions to this position are outlined in § 295.4(c). (3) Anything...

32 CFR 295.3 - Definition of OIG records.

Code of Federal Regulations, 2012 CFR

2012-07-01

..., decisions, or procedures of the OIG. Normally, computer software, including source code, object code, and... the underlying data which is processed and produced by such software and which may in some instances be stored with the software.) Exceptions to this position are outlined in § 295.4(c). (3) Anything...

User interfaces for computational science: A domain specific language for OOMMF embedded in Python

NASA Astrophysics Data System (ADS)

Beg, Marijan; Pepper, Ryan A.; Fangohr, Hans

2017-05-01

Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches to configuring simulation runs: (i) the re-compilation of source code, (ii) the use of configuration files, (iii) the graphical user interface, and (iv) embedding the simulation specification in an existing programming language to express the computational problem. We identify the advantages and disadvantages of different approaches and discuss their implications on effectiveness and reproducibility of computational studies and results. Following on from this, we design and describe a domain specific language for micromagnetics that is embedded in the Python language, and allows users to define the micromagnetic simulations they want to carry out in a flexible way. We have implemented this micromagnetic simulation description language together with a computational backend that executes the simulation task using the Object Oriented MicroMagnetic Framework (OOMMF). We illustrate the use of this Python interface for OOMMF by solving the micromagnetic standard problem 4. All the code is publicly available and is open source.

Utilization of recently developed codes for high power Brayton and Rankine cycle power systems

NASA Technical Reports Server (NTRS)

Doherty, Michael P.

1993-01-01

Two recently developed FORTRAN computer codes for high power Brayton and Rankine thermodynamic cycle analysis for space power applications are presented. The codes were written in support of an effort to develop a series of subsystem models for multimegawatt Nuclear Electric Propulsion, but their use is not limited just to nuclear heat sources or to electric propulsion. Code development background, a description of the codes, some sample input/output from one of the codes, and state future plans/implications for the use of these codes by NASA's Lewis Research Center are provided.

Spectral characteristics of convolutionally coded digital signals

NASA Technical Reports Server (NTRS)

Divsalar, D.

1979-01-01

The power spectral density of the output symbol sequence of a convolutional encoder is computed for two different input symbol stream source models, namely, an NRZ signaling format and a first order Markov source. In the former, the two signaling states of the binary waveform are not necessarily assumed to occur with equal probability. The effects of alternate symbol inversion on this spectrum are also considered. The mathematical results are illustrated with many examples corresponding to optimal performance codes.

Python-Based Applications for Hydrogeological Modeling

NASA Astrophysics Data System (ADS)

Khambhammettu, P.

2013-12-01

Python is a general-purpose, high-level programming language whose design philosophy emphasizes code readability. Add-on packages supporting fast array computation (numpy), plotting (matplotlib), scientific /mathematical Functions (scipy), have resulted in a powerful ecosystem for scientists interested in exploratory data analysis, high-performance computing and data visualization. Three examples are provided to demonstrate the applicability of the Python environment in hydrogeological applications. Python programs were used to model an aquifer test and estimate aquifer parameters at a Superfund site. The aquifer test conducted at a Groundwater Circulation Well was modeled with the Python/FORTRAN-based TTIM Analytic Element Code. The aquifer parameters were estimated with PEST such that a good match was produced between the simulated and observed drawdowns. Python scripts were written to interface with PEST and visualize the results. A convolution-based approach was used to estimate source concentration histories based on observed concentrations at receptor locations. Unit Response Functions (URFs) that relate the receptor concentrations to a unit release at the source were derived with the ATRANS code. The impact of any releases at the source could then be estimated by convolving the source release history with the URFs. Python scripts were written to compute and visualize receptor concentrations for user-specified source histories. The framework provided a simple and elegant way to test various hypotheses about the site. A Python/FORTRAN-based program TYPECURVEGRID-Py was developed to compute and visualize groundwater elevations and drawdown through time in response to a regional uniform hydraulic gradient and the influence of pumping wells using either the Theis solution for a fully-confined aquifer or the Hantush-Jacob solution for a leaky confined aquifer. The program supports an arbitrary number of wells that can operate according to arbitrary schedules. The python wrapper invokes the underlying FORTRAN layer to compute transient groundwater elevations and processes this information to create time-series and 2D plots.

Interfacing Computer Aided Parallelization and Performance Analysis

NASA Technical Reports Server (NTRS)

Jost, Gabriele; Jin, Haoqiang; Labarta, Jesus; Gimenez, Judit; Biegel, Bryan A. (Technical Monitor)

2003-01-01

When porting sequential applications to parallel computer architectures, the program developer will typically go through several cycles of source code optimization and performance analysis. We have started a project to develop an environment where the user can jointly navigate through program structure and performance data information in order to make efficient optimization decisions. In a prototype implementation we have interfaced the CAPO computer aided parallelization tool with the Paraver performance analysis tool. We describe both tools and their interface and give an example for how the interface helps within the program development cycle of a benchmark code.

The FORTRAN static source code analyzer program (SAP) user's guide, revision 1

NASA Technical Reports Server (NTRS)

Decker, W.; Taylor, W.; Eslinger, S.

1982-01-01

The FORTRAN Static Source Code Analyzer Program (SAP) User's Guide (Revision 1) is presented. SAP is a software tool designed to assist Software Engineering Laboratory (SEL) personnel in conducting studies of FORTRAN programs. SAP scans FORTRAN source code and produces reports that present statistics and measures of statements and structures that make up a module. This document is a revision of the previous SAP user's guide, Computer Sciences Corporation document CSC/TM-78/6045. SAP Revision 1 is the result of program modifications to provide several new reports, additional complexity analysis, and recognition of all statements described in the FORTRAN 77 standard. This document provides instructions for operating SAP and contains information useful in interpreting SAP output.

Reconstruction of coded aperture images

NASA Technical Reports Server (NTRS)

Bielefeld, Michael J.; Yin, Lo I.

1987-01-01

Balanced correlation method and the Maximum Entropy Method (MEM) were implemented to reconstruct a laboratory X-ray source as imaged by a Uniformly Redundant Array (URA) system. Although the MEM method has advantages over the balanced correlation method, it is computationally time consuming because of the iterative nature of its solution. Massively Parallel Processing, with its parallel array structure is ideally suited for such computations. These preliminary results indicate that it is possible to use the MEM method in future coded-aperture experiments with the help of the MPP.

How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation

NASA Astrophysics Data System (ADS)

Giorgino, Toni

2018-07-01

The proper choice of collective variables (CVs) is central to biased-sampling free energy reconstruction methods in molecular dynamics simulations. The PLUMED 2 library, for instance, provides several sophisticated CV choices, implemented in a C++ framework; however, developing new CVs is still time consuming due to the need to provide code for the analytical derivatives of all functions with respect to atomic coordinates. We present two solutions to this problem, namely (a) symbolic differentiation and code generation, and (b) automatic code differentiation, in both cases leveraging open-source libraries (SymPy and Stan Math, respectively). The two approaches are demonstrated and discussed in detail implementing a realistic example CV, the local radius of curvature of a polymer. Users may use the code as a template to streamline the implementation of their own CVs using high-level constructs and automatic gradient computation.

Coupled 2-dimensional cascade theory for noise an d unsteady aerodynamics of blade row interaction in turbofans. Volume 2: Documentation for computer code CUP2D

NASA Technical Reports Server (NTRS)

Hanson, Donald B.

1994-01-01

A two dimensional linear aeroacoustic theory for rotor/stator interaction with unsteady coupling was derived and explored in Volume 1 of this report. Computer program CUP2D has been written in FORTRAN embodying the theoretical equations. This volume (Volume 2) describes the structure of the code, installation and running, preparation of the input file, and interpretation of the output. A sample case is provided with printouts of the input and output. The source code is included with comments linking it closely to the theoretical equations in Volume 1.

MELCOR computer code manuals

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

Summers, R.M.; Cole, R.K. Jr.; Smith, R.C.

1995-03-01

MELCOR is a fully integrated, engineering-level computer code that models the progression of severe accidents in light water reactor nuclear power plants. MELCOR is being developed at Sandia National Laboratories for the U.S. Nuclear Regulatory Commission as a second-generation plant risk assessment tool and the successor to the Source Term Code Package. A broad spectrum of severe accident phenomena in both boiling and pressurized water reactors is treated in MELCOR in a unified framework. These include: thermal-hydraulic response in the reactor coolant system, reactor cavity, containment, and confinement buildings; core heatup, degradation, and relocation; core-concrete attack; hydrogen production, transport, andmore » combustion; fission product release and transport; and the impact of engineered safety features on thermal-hydraulic and radionuclide behavior. Current uses of MELCOR include estimation of severe accident source terms and their sensitivities and uncertainties in a variety of applications. This publication of the MELCOR computer code manuals corresponds to MELCOR 1.8.3, released to users in August, 1994. Volume 1 contains a primer that describes MELCOR`s phenomenological scope, organization (by package), and documentation. The remainder of Volume 1 contains the MELCOR Users Guides, which provide the input instructions and guidelines for each package. Volume 2 contains the MELCOR Reference Manuals, which describe the phenomenological models that have been implemented in each package.« less

The SAMI2 Open Source Project

NASA Astrophysics Data System (ADS)

Huba, J. D.; Joyce, G.

2001-05-01

In the past decade, the Open Source Model for software development has gained popularity and has had numerous major achievements: emacs, Linux, the Gimp, and Python, to name a few. The basic idea is to provide the source code of the model or application, a tutorial on its use, and a feedback mechanism with the community so that the model can be tested, improved, and archived. Given the success of the Open Source Model, we believe it may prove valuable in the development of scientific research codes. With this in mind, we are `Open Sourcing' the low to mid-latitude ionospheric model that has recently been developed at the Naval Research Laboratory: SAMI2 (Sami2 is Another Model of the Ionosphere). The model is comprehensive and uses modern numerical techniques. The structure and design of SAMI2 make it relatively easy to understand and modify: the numerical algorithms are simple and direct, and the code is reasonably well-written. Furthermore, SAMI2 is designed to run on personal computers; prohibitive computational resources are not necessary, thereby making the model accessible and usable by virtually all researchers. For these reasons, SAMI2 is an excellent candidate to explore and test the open source modeling paradigm in space physics research. We will discuss various topics associated with this project. Research supported by the Office of Naval Research.

Computer-based coding of free-text job descriptions to efficiently identify occupations in epidemiological studies

PubMed Central

Russ, Daniel E.; Ho, Kwan-Yuet; Colt, Joanne S.; Armenti, Karla R.; Baris, Dalsu; Chow, Wong-Ho; Davis, Faith; Johnson, Alison; Purdue, Mark P.; Karagas, Margaret R.; Schwartz, Kendra; Schwenn, Molly; Silverman, Debra T.; Johnson, Calvin A.; Friesen, Melissa C.

2016-01-01

Background Mapping job titles to standardized occupation classification (SOC) codes is an important step in identifying occupational risk factors in epidemiologic studies. Because manual coding is time-consuming and has moderate reliability, we developed an algorithm called SOCcer (Standardized Occupation Coding for Computer-assisted Epidemiologic Research) to assign SOC-2010 codes based on free-text job description components. Methods Job title and task-based classifiers were developed by comparing job descriptions to multiple sources linking job and task descriptions to SOC codes. An industry-based classifier was developed based on the SOC prevalence within an industry. These classifiers were used in a logistic model trained using 14,983 jobs with expert-assigned SOC codes to obtain empirical weights for an algorithm that scored each SOC/job description. We assigned the highest scoring SOC code to each job. SOCcer was validated in two occupational data sources by comparing SOC codes obtained from SOCcer to expert assigned SOC codes and lead exposure estimates obtained by linking SOC codes to a job-exposure matrix. Results For 11,991 case-control study jobs, SOCcer-assigned codes agreed with 44.5% and 76.3% of manually assigned codes at the 6- and 2-digit level, respectively. Agreement increased with the score, providing a mechanism to identify assignments needing review. Good agreement was observed between lead estimates based on SOCcer and manual SOC assignments (kappa: 0.6–0.8). Poorer performance was observed for inspection job descriptions, which included abbreviations and worksite-specific terminology. Conclusions Although some manual coding will remain necessary, using SOCcer may improve the efficiency of incorporating occupation into large-scale epidemiologic studies. PMID:27102331

Removing a barrier to computer-based outbreak and disease surveillance--the RODS Open Source Project.

PubMed

Espino, Jeremy U; Wagner, M; Szczepaniak, C; Tsui, F C; Su, H; Olszewski, R; Liu, Z; Chapman, W; Zeng, X; Ma, L; Lu, Z; Dara, J

2004-09-24

Computer-based outbreak and disease surveillance requires high-quality software that is well-supported and affordable. Developing software in an open-source framework, which entails free distribution and use of software and continuous, community-based software development, can produce software with such characteristics, and can do so rapidly. The objective of the Real-Time Outbreak and Disease Surveillance (RODS) Open Source Project is to accelerate the deployment of computer-based outbreak and disease surveillance systems by writing software and catalyzing the formation of a community of users, developers, consultants, and scientists who support its use. The University of Pittsburgh seeded the Open Source Project by releasing the RODS software under the GNU General Public License. An infrastructure was created, consisting of a website, mailing lists for developers and users, designated software developers, and shared code-development tools. These resources are intended to encourage growth of the Open Source Project community. Progress is measured by assessing website usage, number of software downloads, number of inquiries, number of system deployments, and number of new features or modules added to the code base. During September--November 2003, users generated 5,370 page views of the project website, 59 software downloads, 20 inquiries, one new deployment, and addition of four features. Thus far, health departments and companies have been more interested in using the software as is than in customizing or developing new features. The RODS laboratory anticipates that after initial installation has been completed, health departments and companies will begin to customize the software and contribute their enhancements to the public code base.

An integrated radiation physics computer code system.

NASA Technical Reports Server (NTRS)

Steyn, J. J.; Harris, D. W.

1972-01-01

An integrated computer code system for the semi-automatic and rapid analysis of experimental and analytic problems in gamma photon and fast neutron radiation physics is presented. Such problems as the design of optimum radiation shields and radioisotope power source configurations may be studied. The system codes allow for the unfolding of complex neutron and gamma photon experimental spectra. Monte Carlo and analytic techniques are used for the theoretical prediction of radiation transport. The system includes a multichannel pulse-height analyzer scintillation and semiconductor spectrometer coupled to an on-line digital computer with appropriate peripheral equipment. The system is geometry generalized as well as self-contained with respect to material nuclear cross sections and the determination of the spectrometer response functions. Input data may be either analytic or experimental.

New features and applications of PRESTO, a computer code for the performance of regenerative, superheated steam turbine cycles

NASA Technical Reports Server (NTRS)

Choo, Y. K.; Staiger, P. J.

1982-01-01

The code was designed to analyze performance at valves-wide-open design flow. The code can model conventional steam cycles as well as cycles that include such special features as process steam extraction and induction and feedwater heating by external heat sources. Convenience features and extensions to the special features were incorporated into the PRESTO code. The features are described, and detailed examples illustrating the use of both the original and the special features are given.

Noniterative MAP reconstruction using sparse matrix representations.

PubMed

Cao, Guangzhi; Bouman, Charles A; Webb, Kevin J

2009-09-01

We present a method for noniterative maximum a posteriori (MAP) tomographic reconstruction which is based on the use of sparse matrix representations. Our approach is to precompute and store the inverse matrix required for MAP reconstruction. This approach has generally not been used in the past because the inverse matrix is typically large and fully populated (i.e., not sparse). In order to overcome this problem, we introduce two new ideas. The first idea is a novel theory for the lossy source coding of matrix transformations which we refer to as matrix source coding. This theory is based on a distortion metric that reflects the distortions produced in the final matrix-vector product, rather than the distortions in the coded matrix itself. The resulting algorithms are shown to require orthonormal transformations of both the measurement data and the matrix rows and columns before quantization and coding. The second idea is a method for efficiently storing and computing the required orthonormal transformations, which we call a sparse-matrix transform (SMT). The SMT is a generalization of the classical FFT in that it uses butterflies to compute an orthonormal transform; but unlike an FFT, the SMT uses the butterflies in an irregular pattern, and is numerically designed to best approximate the desired transforms. We demonstrate the potential of the noniterative MAP reconstruction with examples from optical tomography. The method requires offline computation to encode the inverse transform. However, once these offline computations are completed, the noniterative MAP algorithm is shown to reduce both storage and computation by well over two orders of magnitude, as compared to a linear iterative reconstruction methods.

Energy spectra unfolding of fast neutron sources using the group method of data handling and decision tree algorithms

NASA Astrophysics Data System (ADS)

Hosseini, Seyed Abolfazl; Afrakoti, Iman Esmaili Paeen

2017-04-01

Accurate unfolding of the energy spectrum of a neutron source gives important information about unknown neutron sources. The obtained information is useful in many areas like nuclear safeguards, nuclear nonproliferation, and homeland security. In the present study, the energy spectrum of a poly-energetic fast neutron source is reconstructed using the developed computational codes based on the Group Method of Data Handling (GMDH) and Decision Tree (DT) algorithms. The neutron pulse height distribution (neutron response function) in the considered NE-213 liquid organic scintillator has been simulated using the developed MCNPX-ESUT computational code (MCNPX-Energy engineering of Sharif University of Technology). The developed computational codes based on the GMDH and DT algorithms use some data for training, testing and validation steps. In order to prepare the required data, 4000 randomly generated energy spectra distributed over 52 bins are used. The randomly generated energy spectra and the simulated neutron pulse height distributions by MCNPX-ESUT for each energy spectrum are used as the output and input data. Since there is no need to solve the inverse problem with an ill-conditioned response matrix, the unfolded energy spectrum has the highest accuracy. The 241Am-9Be and 252Cf neutron sources are used in the validation step of the calculation. The unfolded energy spectra for the used fast neutron sources have an excellent agreement with the reference ones. Also, the accuracy of the unfolded energy spectra obtained using the GMDH is slightly better than those obtained from the DT. The results obtained in the present study have good accuracy in comparison with the previously published paper based on the logsig and tansig transfer functions.

mGrid: A load-balanced distributed computing environment for the remote execution of the user-defined Matlab code

PubMed Central

Karpievitch, Yuliya V; Almeida, Jonas S

2006-01-01

Background Matlab, a powerful and productive language that allows for rapid prototyping, modeling and simulation, is widely used in computational biology. Modeling and simulation of large biological systems often require more computational resources then are available on a single computer. Existing distributed computing environments like the Distributed Computing Toolbox, MatlabMPI, Matlab*G and others allow for the remote (and possibly parallel) execution of Matlab commands with varying support for features like an easy-to-use application programming interface, load-balanced utilization of resources, extensibility over the wide area network, and minimal system administration skill requirements. However, all of these environments require some level of access to participating machines to manually distribute the user-defined libraries that the remote call may invoke. Results mGrid augments the usual process distribution seen in other similar distributed systems by adding facilities for user code distribution. mGrid's client-side interface is an easy-to-use native Matlab toolbox that transparently executes user-defined code on remote machines (i.e. the user is unaware that the code is executing somewhere else). Run-time variables are automatically packed and distributed with the user-defined code and automated load-balancing of remote resources enables smooth concurrent execution. mGrid is an open source environment. Apart from the programming language itself, all other components are also open source, freely available tools: light-weight PHP scripts and the Apache web server. Conclusion Transparent, load-balanced distribution of user-defined Matlab toolboxes and rapid prototyping of many simple parallel applications can now be done with a single easy-to-use Matlab command. Because mGrid utilizes only Matlab, light-weight PHP scripts and the Apache web server, installation and configuration are very simple. Moreover, the web-based infrastructure of mGrid allows for it to be easily extensible over the Internet. PMID:16539707

mGrid: a load-balanced distributed computing environment for the remote execution of the user-defined Matlab code.

PubMed

Karpievitch, Yuliya V; Almeida, Jonas S

2006-03-15

Matlab, a powerful and productive language that allows for rapid prototyping, modeling and simulation, is widely used in computational biology. Modeling and simulation of large biological systems often require more computational resources then are available on a single computer. Existing distributed computing environments like the Distributed Computing Toolbox, MatlabMPI, Matlab*G and others allow for the remote (and possibly parallel) execution of Matlab commands with varying support for features like an easy-to-use application programming interface, load-balanced utilization of resources, extensibility over the wide area network, and minimal system administration skill requirements. However, all of these environments require some level of access to participating machines to manually distribute the user-defined libraries that the remote call may invoke. mGrid augments the usual process distribution seen in other similar distributed systems by adding facilities for user code distribution. mGrid's client-side interface is an easy-to-use native Matlab toolbox that transparently executes user-defined code on remote machines (i.e. the user is unaware that the code is executing somewhere else). Run-time variables are automatically packed and distributed with the user-defined code and automated load-balancing of remote resources enables smooth concurrent execution. mGrid is an open source environment. Apart from the programming language itself, all other components are also open source, freely available tools: light-weight PHP scripts and the Apache web server. Transparent, load-balanced distribution of user-defined Matlab toolboxes and rapid prototyping of many simple parallel applications can now be done with a single easy-to-use Matlab command. Because mGrid utilizes only Matlab, light-weight PHP scripts and the Apache web server, installation and configuration are very simple. Moreover, the web-based infrastructure of mGrid allows for it to be easily extensible over the Internet.

Toward an automated parallel computing environment for geosciences

NASA Astrophysics Data System (ADS)

Zhang, Huai; Liu, Mian; Shi, Yaolin; Yuen, David A.; Yan, Zhenzhen; Liang, Guoping

2007-08-01

Software for geodynamic modeling has not kept up with the fast growing computing hardware and network resources. In the past decade supercomputing power has become available to most researchers in the form of affordable Beowulf clusters and other parallel computer platforms. However, to take full advantage of such computing power requires developing parallel algorithms and associated software, a task that is often too daunting for geoscience modelers whose main expertise is in geosciences. We introduce here an automated parallel computing environment built on open-source algorithms and libraries. Users interact with this computing environment by specifying the partial differential equations, solvers, and model-specific properties using an English-like modeling language in the input files. The system then automatically generates the finite element codes that can be run on distributed or shared memory parallel machines. This system is dynamic and flexible, allowing users to address different problems in geosciences. It is capable of providing web-based services, enabling users to generate source codes online. This unique feature will facilitate high-performance computing to be integrated with distributed data grids in the emerging cyber-infrastructures for geosciences. In this paper we discuss the principles of this automated modeling environment and provide examples to demonstrate its versatility.

Computational modeling in cognitive science: a manifesto for change.

PubMed

Addyman, Caspar; French, Robert M

2012-07-01

Computational modeling has long been one of the traditional pillars of cognitive science. Unfortunately, the computer models of cognition being developed today have not kept up with the enormous changes that have taken place in computer technology and, especially, in human-computer interfaces.  For all intents and purposes, modeling is still done today as it was 25, or even 35, years ago. Everyone still programs in his or her own favorite programming language, source code is rarely made available, accessibility of models to non-programming researchers is essentially non-existent, and even for other modelers, the profusion of source code in a multitude of programming languages, written without programming guidelines, makes it almost impossible to access, check, explore, re-use, or continue to develop. It is high time to change this situation, especially since the tools are now readily available to do so. We propose that the modeling community adopt three simple guidelines that would ensure that computational models would be accessible to the broad range of researchers in cognitive science. We further emphasize the pivotal role that journal editors must play in making computational models accessible to readers of their journals. Copyright © 2012 Cognitive Science Society, Inc.

Simulated and measured neutron/gamma light output distribution for poly-energetic neutron/gamma sources

NASA Astrophysics Data System (ADS)

Hosseini, S. A.; Zangian, M.; Aghabozorgi, S.

2018-03-01

In the present paper, the light output distribution due to poly-energetic neutron/gamma (neutron or gamma) source was calculated using the developed MCNPX-ESUT-PE (MCNPX-Energy engineering of Sharif University of Technology-Poly Energetic version) computational code. The simulation of light output distribution includes the modeling of the particle transport, the calculation of scintillation photons induced by charged particles, simulation of the scintillation photon transport and considering the light resolution obtained from the experiment. The developed computational code is able to simulate the light output distribution due to any neutron/gamma source. In the experimental step of the present study, the neutron-gamma discrimination based on the light output distribution was performed using the zero crossing method. As a case study, 241Am-9Be source was considered and the simulated and measured neutron/gamma light output distributions were compared. There is an acceptable agreement between the discriminated neutron/gamma light output distributions obtained from the simulation and experiment.

Structured Hierarchical Ada Presentation Using Pictographs (SHARP) definition, Application and Automation

DTIC Science & Technology

1986-09-01

implement a computer program as a function of the Function Point Total. As shown in Table 9, the software product (referred to as SPQR ) establishes the...language being used. Source code statements are defined in SPQR as consisting of executable statements and data definitions. The factors used to calculate... SPQR is a trademark of Software Productivity Research, Inc, 233 TABLE 9 NUMBER OF COMPUTER PROGRAM SOURCE STATEMENTS PER FUNCTION POINT TOTAL

ANEMOS: A computer code to estimate air concentrations and ground deposition rates for atmospheric nuclides emitted from multiple operating sources

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

Miller, C.W.; Sjoreen, A.L.; Begovich, C.L.

This code estimates concentrations in air and ground deposition rates for Atmospheric Nuclides Emitted from Multiple Operating Sources. ANEMOS is one component of an integrated Computerized Radiological Risk Investigation System (CRRIS) developed for the US Environmental Protection Agency (EPA) for use in performing radiological assessments and in developing radiation standards. The concentrations and deposition rates calculated by ANEMOS are used in subsequent portions of the CRRIS for estimating doses and risks to man. The calculations made in ANEMOS are based on the use of a straight-line Gaussian plume atmospheric dispersion model with both dry and wet deposition parameter options. Themore » code will accommodate a ground-level or elevated point and area source or windblown source. Adjustments may be made during the calculations for surface roughness, building wake effects, terrain height, wind speed at the height of release, the variation in plume rise as a function of downwind distance, and the in-growth and decay of daughter products in the plume as it travels downwind. ANEMOS can also accommodate multiple particle sizes and clearance classes, and it may be used to calculate the dose from a finite plume of gamma-ray-emitting radionuclides passing overhead. The output of this code is presented for 16 sectors of a circular grid. ANEMOS can calculate both the sector-average concentrations and deposition rates at a given set of downwind distances in each sector and the average of these quantities over an area within each sector bounded by two successive downwind distances. ANEMOS is designed to be used primarily for continuous, long-term radionuclide releases. This report describes the models used in the code, their computer implementation, the uncertainty associated with their use, and the use of ANEMOS in conjunction with other codes in the CRRIS. A listing of the code is included in Appendix C.« less

Implementing the UCSD PASCAL system on the MODCOMP computer. [deep space network

NASA Technical Reports Server (NTRS)

Wolfe, T.

1980-01-01

The implementation of an interactive software development system (UCSD PASCAL) on the MODCOMP computer is discussed. The development of an interpreter for the MODCOMP II and the MODCOMP IV computers, written in MODCOMP II assembly language, is described. The complete Pascal programming system was run successfully on a MODCOMP II and MODCOMP IV under both the MAX II/III and MAX IV operating systems. The source code for an 8080 microcomputer version of the interpreter was used as the design for the MODCOMP interpreter. A mapping of the functions within the 8080 interpreter into MODCOMP II assembly language was the method used to code the interpreter.

LittleQuickWarp: an ultrafast image warping tool.

PubMed

Qu, Lei; Peng, Hanchuan

2015-02-01

Warping images into a standard coordinate space is critical for many image computing related tasks. However, for multi-dimensional and high-resolution images, an accurate warping operation itself is often very expensive in terms of computer memory and computational time. For high-throughput image analysis studies such as brain mapping projects, it is desirable to have high performance image warping tools that are compatible with common image analysis pipelines. In this article, we present LittleQuickWarp, a swift and memory efficient tool that boosts 3D image warping performance dramatically and at the same time has high warping quality similar to the widely used thin plate spline (TPS) warping. Compared to the TPS, LittleQuickWarp can improve the warping speed 2-5 times and reduce the memory consumption 6-20 times. We have implemented LittleQuickWarp as an Open Source plug-in program on top of the Vaa3D system (http://vaa3d.org). The source code and a brief tutorial can be found in the Vaa3D plugin source code repository. Copyright © 2014 Elsevier Inc. All rights reserved.

Effect of the diffusion parameters on the observed γ-ray spectrum of sources and their contribution to the local all-electron spectrum: The EDGE code

NASA Astrophysics Data System (ADS)

López-Coto, R.; Hahn, J.; BenZvi, S.; Dingus, B.; Hinton, J.; Nisa, M. U.; Parsons, R. D.; Greus, F. Salesa; Zhang, H.; Zhou, H.

2018-11-01

The positron excess measured by PAMELA and AMS can only be explained if there is one or several sources injecting them. Moreover, at the highest energies, it requires the presence of nearby ( ∼ hundreds of parsecs) and middle age (maximum of ∼ hundreds of kyr) sources. Pulsars, as factories of electrons and positrons, are one of the proposed candidates to explain the origin of this excess. To calculate the contribution of these sources to the electron and positron flux at the Earth, we developed EDGE (Electron Diffusion and Gamma rays to the Earth), a code to treat the propagation of electrons and compute their diffusion from a central source with a flexible injection spectrum. Using this code, we can derive the source's gamma-ray spectrum, spatial extension, the all-electron density in space, the electron and positron flux reaching the Earth and the positron fraction measured at the Earth. We present in this paper the foundations of the code and study how different parameters affect the gamma-ray spectrum of a source and the electron flux measured at the Earth. We also studied the effect of several approximations usually performed in these studies. This code has been used to derive the results of the positron flux measured at the Earth in [1].

Line x-ray source for diffraction enhanced imaging in clinical and industrial applications

NASA Astrophysics Data System (ADS)

Wang, Xiaoqin

Mammography is one type of imaging modalities that uses a low-dose x-ray or other radiation sources for examination of breasts. It plays a central role in early detection of breast cancers. The material similarity of tumor-cell and health cell, breast implants surgery and other factors, make the breast cancers hard to visualize and detect. Diffraction enhanced imaging (DEI), first proposed and investigated by D. Chapman is a new x-ray radiographic imaging modality using monochromatic x-rays from a synchrotron source, which produced images of thick absorbing objects that are almost completely free of scatter. It shows dramatically improved contrast over standard imaging when applied to the same phantom. The contrast is based not only on attenuation but also on the refraction and diffraction properties of the sample. This imaging method may improve image quality of mammography, other medical applications, industrial radiography for non-destructive testing and x-ray computed tomography. However, the size, and cost, of a synchrotron source limits the application of the new modality to be applicable at clinical levels. This research investigates the feasibility of a designed line x-ray source to produce intensity compatible to synchrotron sources. It is composed of a 2-cm in length tungsten filament, installed on a carbon steel filament cup (backing plate), as the cathode and a stationary oxygen-free copper anode with molybdenum coating on the front surface serves as the target. Characteristic properties of the line x-ray source were computationally studied and the prototype was experimentally investigated. SIMIION code was used to computationally study the electron trajectories emanating from the filament towards the molybdenum target. A Faraday cup on the prototype device, proof-of-principle, was used to measure the distribution of electrons on the target, which compares favorably to computational results. The intensities of characteristic x-ray for molybdenum, tungsten and rhodium targets were investigated with different window materials for -30kV to -100kV applied potential. Heat loading and thermal management of the target has been investigated computationally using COMSOL code package, and experimental measurements of target temperature rise was taken via thermocouples attached to the target. Temperature measurements for low voltage, low current regime without active cooling were compared to computational results for code-experiment benchmarking. Two different phantoms were used in the simulation of DEI images, which showed that the designed x-ray source with DEI setup could produce images with significant improved contrast. The computational results, along with experimental measurements on the prototype setup, indicate the possibility of scale up to larger area x-ray source adequate for DEI applications.

NARMER-1: a photon point-kernel code with build-up factors

NASA Astrophysics Data System (ADS)

Visonneau, Thierry; Pangault, Laurence; Malouch, Fadhel; Malvagi, Fausto; Dolci, Florence

2017-09-01

This paper presents an overview of NARMER-1, the new generation of photon point-kernel code developed by the Reactor Studies and Applied Mathematics Unit (SERMA) at CEA Saclay Center. After a short introduction giving some history points and the current context of development of the code, the paper exposes the principles implemented in the calculation, the physical quantities computed and surveys the generic features: programming language, computer platforms, geometry package, sources description, etc. Moreover, specific and recent features are also detailed: exclusion sphere, tetrahedral meshes, parallel operations. Then some points about verification and validation are presented. Finally we present some tools that can help the user for operations like visualization and pre-treatment.

Turbofan noise generation. Volume 2: Computer programs

NASA Technical Reports Server (NTRS)

Ventres, C. S.; Theobald, M. A.; Mark, W. D.

1982-01-01

The use of a package of computer programs developed to calculate the in duct acoustic mods excited by a fan/stator stage operating at subsonic tip speed is described. The following three noise source mechanisms are included: (1) sound generated by the rotor blades interacting with turbulence ingested into, or generated within, the inlet duct; (2) sound generated by the stator vanes interacting with the turbulent wakes of the rotor blades; and (3) sound generated by the stator vanes interacting with the velocity deficits in the mean wakes of the rotor blades. The computations for three different noise mechanisms are coded as three separate computer program packages. The computer codes are described by means of block diagrams, tables of data and variables, and example program executions; FORTRAN listings are included.

Turbofan noise generation. Volume 2: Computer programs

NASA Astrophysics Data System (ADS)

Ventres, C. S.; Theobald, M. A.; Mark, W. D.

1982-07-01

The use of a package of computer programs developed to calculate the in duct acoustic mods excited by a fan/stator stage operating at subsonic tip speed is described. The following three noise source mechanisms are included: (1) sound generated by the rotor blades interacting with turbulence ingested into, or generated within, the inlet duct; (2) sound generated by the stator vanes interacting with the turbulent wakes of the rotor blades; and (3) sound generated by the stator vanes interacting with the velocity deficits in the mean wakes of the rotor blades. The computations for three different noise mechanisms are coded as three separate computer program packages. The computer codes are described by means of block diagrams, tables of data and variables, and example program executions; FORTRAN listings are included.

Computer-Aided Thermohydraulic Design of TEMA Type E Shell and Tube Heat Exchangers for Use in Low Pressure, Liquid-to-Liquid, Single Phase Applications.

DTIC Science & Technology

1985-04-01

and Standards .. ... ....... ....... 9 A. General . ... .. .. ... ..... .. .. ... 9 B. ASME Boiler and Pressure Vessel Code .. .. ......9 C. Foreign...several different sources. B. American Society of Mechanial Engineers (ASME) Boiler and Pressure Vessel Code A shell and tube heat exchanger is indeed a

A comparison of skyshine computational methods.

PubMed

Hertel, Nolan E; Sweezy, Jeremy E; Shultis, J Kenneth; Warkentin, J Karl; Rose, Zachary J

2005-01-01

A variety of methods employing radiation transport and point-kernel codes have been used to model two skyshine problems. The first problem is a 1 MeV point source of photons on the surface of the earth inside a 2 m tall and 1 m radius silo having black walls. The skyshine radiation downfield from the point source was estimated with and without a 30-cm-thick concrete lid on the silo. The second benchmark problem is to estimate the skyshine radiation downfield from 12 cylindrical canisters emplaced in a low-level radioactive waste trench. The canisters are filled with ion-exchange resin with a representative radionuclide loading, largely 60Co, 134Cs and 137Cs. The solution methods include use of the MCNP code to solve the problem by directly employing variance reduction techniques, the single-scatter point kernel code GGG-GP, the QADMOD-GP point kernel code, the COHORT Monte Carlo code, the NAC International version of the SKYSHINE-III code, the KSU hybrid method and the associated KSU skyshine codes.

A Multiphysics and Multiscale Software Environment for Modeling Astrophysical Systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; O'Nualláin, Breanndán; Heggie, Douglas; Lombardi, James; Hut, Piet; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Fuji, Michiko; Gaburov, Evghenii; Glebbeek, Evert; Groen, Derek; Harfst, Stefan; Izzard, Rob; Jurić, Mario; Justham, Stephen; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

We present MUSE, a software framework for tying together existing computational tools for different astrophysical domains into a single multiphysics, multiscale workload. 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 a generalized stellar systems workload. MUSE has now reached a "Noah's Ark" milestone, with two available numerical solvers for each domain. MUSE can treat small stellar associations, galaxies and everything in between, including planetary systems, dense stellar clusters and galactic nuclei. Here we demonstrate an examples calculated with MUSE: the merger of two galaxies. In addition we demonstrate the working of MUSE on a distributed computer. The current MUSE code base is publicly available as open source at http://muse.li.

Electron transport model of dielectric charging

NASA Technical Reports Server (NTRS)

Beers, B. L.; Hwang, H. C.; Lin, D. L.; Pine, V. W.

1979-01-01

A computer code (SCCPOEM) was assembled to describe the charging of dielectrics due to irradiation by electrons. The primary purpose for developing the code was to make available a convenient tool for studying the internal fields and charge densities in electron-irradiated dielectrics. The code, which is based on the primary electron transport code POEM, is applicable to arbitrary dielectrics, source spectra, and current time histories. The code calculations are illustrated by a series of semianalytical solutions. Calculations to date suggest that the front face electric field is insufficient to cause breakdown, but that bulk breakdown fields can easily be exceeded.

Development of Alabama Resources Information System (ARIS)

NASA Technical Reports Server (NTRS)

Herring, B. E.; Vachon, R. I.

1976-01-01

A formal, organized set of information concerning the development status of the Alabama Resources Information System (ARIS) as of September 1976 is provided. A series of computer source language programs, and flow charts related to each of the computer programs to provide greater ease in performing future change are presented. Listings of the variable names, and their meanings, used in the various source code programs, and copies of the various user manuals which were prepared through this time are given.

ADPAC v1.0: User's Manual

NASA Technical Reports Server (NTRS)

Hall, Edward J.; Heidegger, Nathan J.; Delaney, Robert A.

1999-01-01

The overall objective of this study was to evaluate the effects of turbulence models in a 3-D numerical analysis on the wake prediction capability. The current version of the computer code resulting from this study is referred to as ADPAC v7 (Advanced Ducted Propfan Analysis Codes -Version 7). This report is intended to serve as a computer program user's manual for the ADPAC code used and modified under Task 15 of NASA Contract NAS3-27394. The ADPAC program is based on a flexible multiple-block and discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. Turbulence models now available in the ADPAC code are: a simple mixing-length model, the algebraic Baldwin-Lomax model with user defined coefficients, the one-equation Spalart-Allmaras model, and a two-equation k-R model. The consolidated ADPAC code is capable of executing in either a serial or parallel computing mode from a single source code.

MELCOR computer code manuals: Primer and user`s guides, Version 1.8.3 September 1994. Volume 1

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

Summers, R.M.; Cole, R.K. Jr.; Smith, R.C.

1995-03-01

MELCOR is a fully integrated, engineering-level computer code that models the progression of severe accidents in light water reactor nuclear power plants. MELCOR is being developed at Sandia National Laboratories for the US Nuclear Regulatory Commission as a second-generation plant risk assessment tool and the successor to the Source Term Code Package. A broad spectrum of severe accident phenomena in both boiling and pressurized water reactors is treated in MELCOR in a unified framework. These include: thermal-hydraulic response in the reactor coolant system, reactor cavity, containment, and confinement buildings; core heatup, degradation, and relocation; core-concrete attack; hydrogen production, transport, andmore » combustion; fission product release and transport; and the impact of engineered safety features on thermal-hydraulic and radionuclide behavior. Current uses of MELCOR include estimation of severe accident source terms and their sensitivities and uncertainties in a variety of applications. This publication of the MELCOR computer code manuals corresponds to MELCOR 1.8.3, released to users in August, 1994. Volume 1 contains a primer that describes MELCOR`s phenomenological scope, organization (by package), and documentation. The remainder of Volume 1 contains the MELCOR Users` Guides, which provide the input instructions and guidelines for each package. Volume 2 contains the MELCOR Reference Manuals, which describe the phenomenological models that have been implemented in each package.« less

Simulation of short period Lg, expansion of three-dimensional source simulation capabilities and simulation of near-field ground motion from the 1971 San Fernando, California, earthquake. Final report 1 Oct 79-30 Nov 80

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

Bache, T.C.; Swanger, H.J.; Shkoller, B.

1981-07-01

This report summarizes three efforts performed during the past fiscal year. The first these efforts is a study of the theoretical behavior of the regional seismic phase Lg in various tectonic provinces. Synthetic seismograms are used to determine the sensitivity of Lg to source and medium properties. The primary issues addressed concern the relationship of regional Lg characteristics to the crustal attenuation properties, the comparison of the Lg in many crustal structures and the source depth dependence of Lg. The second effort described is an expansion of hte capabilities of the three-dimensional finite difference code TRES. The present capabilities aremore » outlined with comparisons of the performance of the code on three computer systems. The last effort described is the development of an algorithm for simulation of the near-field ground motions from the 1971 San Fernando, California, earthquake. A computer code implementing this algorithm has been provided to the Mission Research Corporation foe simulation of the acoustic disturbances from such an earthquake.« less

A survey of compiler optimization techniques

NASA Technical Reports Server (NTRS)

Schneck, P. B.

1972-01-01

Major optimization techniques of compilers are described and grouped into three categories: machine dependent, architecture dependent, and architecture independent. Machine-dependent optimizations tend to be local and are performed upon short spans of generated code by using particular properties of an instruction set to reduce the time or space required by a program. Architecture-dependent optimizations are global and are performed while generating code. These optimizations consider the structure of a computer, but not its detailed instruction set. Architecture independent optimizations are also global but are based on analysis of the program flow graph and the dependencies among statements of source program. A conceptual review of a universal optimizer that performs architecture-independent optimizations at source-code level is also presented.

Source Term Model for Steady Micro Jets in a Navier-Stokes Computer Code

NASA Technical Reports Server (NTRS)

Waithe, Kenrick A.

2005-01-01

A source term model for steady micro jets was implemented into a non-proprietary Navier-Stokes computer code, OVERFLOW. The source term models the mass flow and momentum created by a steady blowing micro jet. The model is obtained by adding the momentum and mass flow created by the jet to the Navier-Stokes equations. The model was tested by comparing with data from numerical simulations of a single, steady micro jet on a flat plate in two and three dimensions. The source term model predicted the velocity distribution well compared to the two-dimensional plate using a steady mass flow boundary condition, which was used to simulate a steady micro jet. The model was also compared to two three-dimensional flat plate cases using a steady mass flow boundary condition to simulate a steady micro jet. The three-dimensional comparison included a case with a grid generated to capture the circular shape of the jet and a case without a grid generated for the micro jet. The case without the jet grid mimics the application of the source term. The source term model compared well with both of the three-dimensional cases. Comparisons of velocity distribution were made before and after the jet and Mach and vorticity contours were examined. The source term model allows a researcher to quickly investigate different locations of individual or several steady micro jets. The researcher is able to conduct a preliminary investigation with minimal grid generation and computational time.

PyPedia: using the wiki paradigm as crowd sourcing environment for bioinformatics protocols.

PubMed

Kanterakis, Alexandros; Kuiper, Joël; Potamias, George; Swertz, Morris A

2015-01-01

Today researchers can choose from many bioinformatics protocols for all types of life sciences research, computational environments and coding languages. Although the majority of these are open source, few of them possess all virtues to maximize reuse and promote reproducible science. Wikipedia has proven a great tool to disseminate information and enhance collaboration between users with varying expertise and background to author qualitative content via crowdsourcing. However, it remains an open question whether the wiki paradigm can be applied to bioinformatics protocols. We piloted PyPedia, a wiki where each article is both implementation and documentation of a bioinformatics computational protocol in the python language. Hyperlinks within the wiki can be used to compose complex workflows and induce reuse. A RESTful API enables code execution outside the wiki. Initial content of PyPedia contains articles for population statistics, bioinformatics format conversions and genotype imputation. Use of the easy to learn wiki syntax effectively lowers the barriers to bring expert programmers and less computer savvy researchers on the same page. PyPedia demonstrates how wiki can provide a collaborative development, sharing and even execution environment for biologists and bioinformaticians that complement existing resources, useful for local and multi-center research teams. PyPedia is available online at: http://www.pypedia.com. The source code and installation instructions are available at: https://github.com/kantale/PyPedia_server. The PyPedia python library is available at: https://github.com/kantale/pypedia. PyPedia is open-source, available under the BSD 2-Clause License.

JADAMILU: a software code for computing selected eigenvalues of large sparse symmetric matrices

NASA Astrophysics Data System (ADS)

Bollhöfer, Matthias; Notay, Yvan

2007-12-01

A new software code for computing selected eigenvalues and associated eigenvectors of a real symmetric matrix is described. The eigenvalues are either the smallest or those closest to some specified target, which may be in the interior of the spectrum. The underlying algorithm combines the Jacobi-Davidson method with efficient multilevel incomplete LU (ILU) preconditioning. Key features are modest memory requirements and robust convergence to accurate solutions. Parameters needed for incomplete LU preconditioning are automatically computed and may be updated at run time depending on the convergence pattern. The software is easy to use by non-experts and its top level routines are written in FORTRAN 77. Its potentialities are demonstrated on a few applications taken from computational physics. Program summaryProgram title: JADAMILU Catalogue identifier: ADZT_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZT_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 101 359 No. of bytes in distributed program, including test data, etc.: 7 493 144 Distribution format: tar.gz Programming language: Fortran 77 Computer: Intel or AMD with g77 and pgf; Intel EM64T or Itanium with ifort; AMD Opteron with g77, pgf and ifort; Power (IBM) with xlf90. Operating system: Linux, AIX RAM: problem dependent Word size: real:8; integer: 4 or 8, according to user's choice Classification: 4.8 Nature of problem: Any physical problem requiring the computation of a few eigenvalues of a symmetric matrix. Solution method: Jacobi-Davidson combined with multilevel ILU preconditioning. Additional comments: We supply binaries rather than source code because JADAMILU uses the following external packages: MC64. This software is copyrighted software and not freely available. COPYRIGHT (c) 1999 Council for the Central Laboratory of the Research Councils. AMD. Copyright (c) 2004-2006 by Timothy A. Davis, Patrick R. Amestoy, and Iain S. Duff. Source code is distributed by the authors under the GNU LGPL licence. BLAS. The reference BLAS is a freely-available software package. It is available from netlib via anonymous ftp and the World Wide Web. LAPACK. The complete LAPACK package or individual routines from LAPACK are freely available on netlib and can be obtained via the World Wide Web or anonymous ftp. For maximal benefit to the community, we added the sources we are proprietary of to the tar.gz file submitted for inclusion in the CPC library. However, as explained in the README file, users willing to compile the code instead of using binaries should first obtain the sources for the external packages mentioned above (email and/or web addresses are provided). Running time: Problem dependent; the test examples provided with the code only take a few seconds to run; timing results for large scale problems are given in Section 5.

Porting plasma physics simulation codes to modern computing architectures using the libmrc framework

NASA Astrophysics Data System (ADS)

Germaschewski, Kai; Abbott, Stephen

2015-11-01

Available computing power has continued to grow exponentially even after single-core performance satured in the last decade. The increase has since been driven by more parallelism, both using more cores and having more parallelism in each core, e.g. in GPUs and Intel Xeon Phi. Adapting existing plasma physics codes is challenging, in particular as there is no single programming model that covers current and future architectures. We will introduce the open-source libmrc framework that has been used to modularize and port three plasma physics codes: The extended MHD code MRCv3 with implicit time integration and curvilinear grids; the OpenGGCM global magnetosphere model; and the particle-in-cell code PSC. libmrc consolidates basic functionality needed for simulations based on structured grids (I/O, load balancing, time integrators), and also introduces a parallel object model that makes it possible to maintain multiple implementations of computational kernels, on e.g. conventional processors and GPUs. It handles data layout conversions and enables us to port performance-critical parts of a code to a new architecture step-by-step, while the rest of the code can remain unchanged. We will show examples of the performance gains and some physics applications.

An open-source textbook for teaching climate-related risk analysis using the R computing environment

NASA Astrophysics Data System (ADS)

Applegate, P. J.; Keller, K.

2015-12-01

Greenhouse gas emissions lead to increased surface air temperatures and sea level rise. In turn, sea level rise increases the risks of flooding for people living near the world's coastlines. Our own research on assessing sea level rise-related risks emphasizes both Earth science and statistics. At the same time, the free, open-source computing environment R is growing in popularity among statisticians and scientists due to its flexibility and graphics capabilities, as well as its large library of existing functions. We have developed a set of laboratory exercises that introduce students to the Earth science and statistical concepts needed for assessing the risks presented by climate change, particularly sea-level rise. These exercises will be published as a free, open-source textbook on the Web. Each exercise begins with a description of the Earth science and/or statistical concepts that the exercise teaches, with references to key journal articles where appropriate. Next, students are asked to examine in detail a piece of existing R code, and the exercise text provides a clear explanation of how the code works. Finally, students are asked to modify the existing code to produce a well-defined outcome. We discuss our experiences in developing the exercises over two separate semesters at Penn State, plus using R Markdown to interweave explanatory text with sample code and figures in the textbook.

Particle model of a cylindrical inductively coupled ion source

NASA Astrophysics Data System (ADS)

Ippolito, N. D.; Taccogna, F.; Minelli, P.; Cavenago, M.; Veltri, P.

2017-08-01

In spite of the wide use of RF sources, a complete understanding of the mechanisms regulating the RF-coupling of the plasma is still lacking so self-consistent simulations of the involved physics are highly desirable. For this reason we are developing a 2.5D fully kinetic Particle-In-Cell Monte-Carlo-Collision (PIC-MCC) model of a cylindrical ICP-RF source, keeping the time step of the simulation small enough to resolve the plasma frequency scale. The grid cell dimension is now about seven times larger than the average Debye length, because of the large computational demand of the code. It will be scaled down in the next phase of the development of the code. The filling gas is Xenon, in order to minimize the time lost by the MCC collision module in the first stage of development of the code. The results presented here are preliminary, with the code already showing a good robustness. The final goal will be the modeling of the NIO1 (Negative Ion Optimization phase 1) source, operating in Padua at Consorzio RFX.

Establishing a communications link between two different, incompatible, personal computers: with practical examples and illustrations and program code.

PubMed

Davidson, R W

1985-01-01

The increasing need to communicate to exchange data can be handled by personal microcomputers. The necessity for the transference of information stored in one type of personal computer to another type of personal computer is often encountered in the process of integrating multiple sources of information stored in different and incompatible computers in Medical Research and Practice. A practical example is demonstrated with two relatively inexpensive commonly used computers, the IBM PC jr. and the Apple IIe. The basic input/output (I/O) interface chip for serial communication for each computer are joined together using a Null connector and cable to form a communications link. Using BASIC (Beginner's All-purpose Symbolic Instruction Code) Computer Language and the Disk Operating System (DOS) the communications handshaking protocol and file transfer is established between the two computers. The BASIC programming languages used are Applesoft (Apple Personal Computer) and PC BASIC (IBM Personal computer).

Computation of Standard Errors

PubMed Central

Dowd, Bryan E; Greene, William H; Norton, Edward C

2014-01-01

Objectives We discuss the problem of computing the standard errors of functions involving estimated parameters and provide the relevant computer code for three different computational approaches using two popular computer packages. Study Design We show how to compute the standard errors of several functions of interest: the predicted value of the dependent variable for a particular subject, and the effect of a change in an explanatory variable on the predicted value of the dependent variable for an individual subject and average effect for a sample of subjects. Empirical Application Using a publicly available dataset, we explain three different methods of computing standard errors: the delta method, Krinsky–Robb, and bootstrapping. We provide computer code for Stata 12 and LIMDEP 10/NLOGIT 5. Conclusions In most applications, choice of the computational method for standard errors of functions of estimated parameters is a matter of convenience. However, when computing standard errors of the sample average of functions that involve both estimated parameters and nonstochastic explanatory variables, it is important to consider the sources of variation in the function's values. PMID:24800304

[Random Variable Read Me File

NASA Technical Reports Server (NTRS)

Teubert, Christopher; Sankararaman, Shankar; Cullo, Aiden

2017-01-01

Readme for the Random Variable Toolbox usable manner. is a Web-based Git version control repository hosting service. It is mostly used for computer code. It offers all of the distributed version control and source code management (SCM) functionality of Git as well as adding its own features. It provides access control and several collaboration features such as bug tracking, feature requests, task management, and wikis for every project.[3] GitHub offers both plans for private and free repositories on the same account[4] which are commonly used to host open-source software projects.[5] As of April 2017, GitHub reports having almost 20 million users and 57 million repositories,[6] making it the largest host of source code in the world.[7] GitHub has a mascot called Octocat, a cat with five tentacles and a human-like face

Simulating the interaction of the heliosphere with the local interstellar medium: MHD results from a finite volume approach, first bidimensional results

NASA Technical Reports Server (NTRS)

Chanteur, G.; Khanfir, R.

1995-01-01

We have designed a full compressible MHD code working on unstructured meshes in order to be able to compute accurately sharp structures embedded in large scale simulations. The code is based on a finite volume method making use of a kinetic flux splitting. A bidimensional version of the code has been used to simulate the interaction of a moving interstellar medium, magnetized or unmagnetized with a rotating and magnetized heliopspheric plasma source. Being aware that these computations are not realistic due to the restriction to two dimensions, we present it to demonstrate the ability of this new code to handle this problem. An axisymetric version, now under development, will be operational in a few months. Ultimately we plan to run a full 3d version.

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.

PubMed

Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Chiarotti, Guido L; Cococcioni, Matteo; Dabo, Ismaila; Dal Corso, Andrea; de Gironcoli, Stefano; Fabris, Stefano; Fratesi, Guido; Gebauer, Ralph; Gerstmann, Uwe; Gougoussis, Christos; Kokalj, Anton; Lazzeri, Michele; Martin-Samos, Layla; Marzari, Nicola; Mauri, Francesco; Mazzarello, Riccardo; Paolini, Stefano; Pasquarello, Alfredo; Paulatto, Lorenzo; Sbraccia, Carlo; Scandolo, Sandro; Sclauzero, Gabriele; Seitsonen, Ari P; Smogunov, Alexander; Umari, Paolo; Wentzcovitch, Renata M

2009-09-30

QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

Industrial Demand Module - NEMS Documentation

EIA Publications

2014-01-01

Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Industrial Demand Module. The report catalogues and describes model assumptions, computational methodology, parameter estimation techniques, and model source code.

Spare a Little Change? Towards a 5-Nines Internet in 250 Lines of Code

DTIC Science & Technology

2011-05-01

NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Carnegie Mellon University,School of Computer Science,Pittsburgh,PA,15213 8. PERFORMING ...Std Z39-18 Keywords: Internet reliability, BGP performance , Quagga This document includes excerpts of the source code for the Linux operating system...Behavior and Performance . . . . . . . . . . . . . . . . . . . . . . . . . . .  .. Other Related Work

CARES/LIFE Software Commercialization

NASA Technical Reports Server (NTRS)

1995-01-01

The NASA Lewis Research Center has entered into a letter agreement with BIOSYM Technologies Inc. (now merged with Molecular Simulations Inc. (MSI)). Under this agreement, NASA will provide a developmental copy of the CARES/LIFE computer program to BIOSYM for evaluation. This computer code predicts the time-dependent reliability of a thermomechanically loaded component. BIOSYM will become familiar with CARES/LIFE, provide results of computations useful in validating the code, evaluate it for potential commercialization, and submit suggestions for improvements or extensions to the code or its documentation. If BIOSYM/Molecular Simulations reaches a favorable evaluation of CARES/LIFE, NASA will enter into negotiations for a cooperative agreement with BIOSYM/Molecular Simulations to further develop the code--adding features such as a user-friendly interface and other improvements. This agreement would give BIOSYM intellectual property rights in the modified codes, which they could protect and then commercialize. NASA would provide BIOSYM with the NASA-developed source codes and would agree to cooperate with BIOSYM in further developing the code. In return, NASA would receive certain use rights in the modified CARES/LIFE program. Presently BIOSYM Technologies Inc. has been involved with integration issues concerning its merger with Molecular Simulations Inc., since both companies used to compete in the computational chemistry market, and to some degree, in the materials market. Consequently, evaluation of the CARES/LIFE software is on hold for a month or two while the merger is finalized. Their interest in CARES continues, however, and they expect to get back to the evaluation by early November 1995.

Towards Holography via Quantum Source-Channel Codes.

PubMed

Pastawski, Fernando; Eisert, Jens; Wilming, Henrik

2017-07-14

While originally motivated by quantum computation, quantum error correction (QEC) is currently providing valuable insights into many-body quantum physics, such as topological phases of matter. Furthermore, mounting evidence originating from holography research (AdS/CFT) indicates that QEC should also be pertinent for conformal field theories. With this motivation in mind, we introduce quantum source-channel codes, which combine features of lossy compression and approximate quantum error correction, both of which are predicted in holography. Through a recent construction for approximate recovery maps, we derive guarantees on its erasure decoding performance from calculations of an entropic quantity called conditional mutual information. As an example, we consider Gibbs states of the transverse field Ising model at criticality and provide evidence that they exhibit nontrivial protection from local erasure. This gives rise to the first concrete interpretation of a bona fide conformal field theory as a quantum error correcting code. We argue that quantum source-channel codes are of independent interest beyond holography.

Towards Holography via Quantum Source-Channel Codes

NASA Astrophysics Data System (ADS)

Pastawski, Fernando; Eisert, Jens; Wilming, Henrik

2017-07-01

While originally motivated by quantum computation, quantum error correction (QEC) is currently providing valuable insights into many-body quantum physics, such as topological phases of matter. Furthermore, mounting evidence originating from holography research (AdS/CFT) indicates that QEC should also be pertinent for conformal field theories. With this motivation in mind, we introduce quantum source-channel codes, which combine features of lossy compression and approximate quantum error correction, both of which are predicted in holography. Through a recent construction for approximate recovery maps, we derive guarantees on its erasure decoding performance from calculations of an entropic quantity called conditional mutual information. As an example, we consider Gibbs states of the transverse field Ising model at criticality and provide evidence that they exhibit nontrivial protection from local erasure. This gives rise to the first concrete interpretation of a bona fide conformal field theory as a quantum error correcting code. We argue that quantum source-channel codes are of independent interest beyond holography.

Open-Source Development of the Petascale Reactive Flow and Transport Code PFLOTRAN

NASA Astrophysics Data System (ADS)

Hammond, G. E.; Andre, B.; Bisht, G.; Johnson, T.; Karra, S.; Lichtner, P. C.; Mills, R. T.

2013-12-01

Open-source software development has become increasingly popular in recent years. Open-source encourages collaborative and transparent software development and promotes unlimited free redistribution of source code to the public. Open-source development is good for science as it reveals implementation details that are critical to scientific reproducibility, but generally excluded from journal publications. In addition, research funds that would have been spent on licensing fees can be redirected to code development that benefits more scientists. In 2006, the developers of PFLOTRAN open-sourced their code under the U.S. Department of Energy SciDAC-II program. Since that time, the code has gained popularity among code developers and users from around the world seeking to employ PFLOTRAN to simulate thermal, hydraulic, mechanical and biogeochemical processes in the Earth's surface/subsurface environment. PFLOTRAN is a massively-parallel subsurface reactive multiphase flow and transport simulator designed from the ground up to run efficiently on computing platforms ranging from the laptop to leadership-class supercomputers, all from a single code base. The code employs domain decomposition for parallelism and is founded upon the well-established and open-source parallel PETSc and HDF5 frameworks. PFLOTRAN leverages modern Fortran (i.e. Fortran 2003-2008) in its extensible object-oriented design. The use of this progressive, yet domain-friendly programming language has greatly facilitated collaboration in the code's software development. Over the past year, PFLOTRAN's top-level data structures were refactored as Fortran classes (i.e. extendible derived types) to improve the flexibility of the code, ease the addition of new process models, and enable coupling to external simulators. For instance, PFLOTRAN has been coupled to the parallel electrical resistivity tomography code E4D to enable hydrogeophysical inversion while the same code base can be used as a third-party library to provide hydrologic flow, energy transport, and biogeochemical capability to the community land model, CLM, part of the open-source community earth system model (CESM) for climate. In this presentation, the advantages and disadvantages of open source software development in support of geoscience research at government laboratories, universities, and the private sector are discussed. Since the code is open-source (i.e. it's transparent and readily available to competitors), the PFLOTRAN team's development strategy within a competitive research environment is presented. Finally, the developers discuss their approach to object-oriented programming and the leveraging of modern Fortran in support of collaborative geoscience research as the Fortran standard evolves among compiler vendors.

General Electromagnetic Model for the Analysis of Complex Systems (GEMACS) Computer Code Documentation (Version 3). Volume 3. Part 2.

DTIC Science & Technology

1983-09-01

F.P. PX /AMPZIJ/ REFH /AMPZIJ/ REFV /AI4PZIJ/ * RHOX /AI4PZIJ/ RHOY /At4PZIJ/ RHOZ /AI4PZIJ/ S A-ZJ SA /AMPZIJ/ SALP /AMPZIJ/ 6. CALLING ROUTINE: FLDDRV...US3NG ALGORITHM 72 COMPUTE P- YES .~:*:.~~ USING* *. 1. NAME: PLAINT (GTD) ] 2. PURPOSE: To determine if a ray traveling from a given source loca...determine if a source ray reflection from plate MP occurs. If a ray traveling from the source image location in the reflected ray direction passes through

Computations of the three-dimensional flow and heat transfer within a coolant passage of a radial turbine blade

NASA Technical Reports Server (NTRS)

Shih, T. I.-P.; Roelke, R. J.; Steinthorsson, E.

1991-01-01

A numerical code is developed for computing three-dimensional, turbulent, compressible flow within coolant passages of turbine blades. The code is based on a formulation of the compressible Navier-Stokes equations in a rotating frame of reference in which the velocity dependent variable is specified with respect to the rotating frame instead of the inertial frame. The algorithm employed to obtain solutions to the governing equation is a finite-volume LU algorithm that allows convection, source, as well as diffusion terms to be treated implicitly. In this study, all convection terms are upwind differenced by using flux-vector splitting, and all diffusion terms are centrally differenced. This paper describes the formulation and algorithm employed in the code. Some computed solutions for the flow within a coolant passage of a radial turbine are also presented.

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.

DualSPHysics: A numerical tool to simulate real breakwaters

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Computer-based coding of free-text job descriptions to efficiently identify occupations in epidemiological studies.

PubMed

Russ, Daniel E; Ho, Kwan-Yuet; Colt, Joanne S; Armenti, Karla R; Baris, Dalsu; Chow, Wong-Ho; Davis, Faith; Johnson, Alison; Purdue, Mark P; Karagas, Margaret R; Schwartz, Kendra; Schwenn, Molly; Silverman, Debra T; Johnson, Calvin A; Friesen, Melissa C

2016-06-01

Mapping job titles to standardised occupation classification (SOC) codes is an important step in identifying occupational risk factors in epidemiological studies. Because manual coding is time-consuming and has moderate reliability, we developed an algorithm called SOCcer (Standardized Occupation Coding for Computer-assisted Epidemiologic Research) to assign SOC-2010 codes based on free-text job description components. Job title and task-based classifiers were developed by comparing job descriptions to multiple sources linking job and task descriptions to SOC codes. An industry-based classifier was developed based on the SOC prevalence within an industry. These classifiers were used in a logistic model trained using 14 983 jobs with expert-assigned SOC codes to obtain empirical weights for an algorithm that scored each SOC/job description. We assigned the highest scoring SOC code to each job. SOCcer was validated in 2 occupational data sources by comparing SOC codes obtained from SOCcer to expert assigned SOC codes and lead exposure estimates obtained by linking SOC codes to a job-exposure matrix. For 11 991 case-control study jobs, SOCcer-assigned codes agreed with 44.5% and 76.3% of manually assigned codes at the 6-digit and 2-digit level, respectively. Agreement increased with the score, providing a mechanism to identify assignments needing review. Good agreement was observed between lead estimates based on SOCcer and manual SOC assignments (κ 0.6-0.8). Poorer performance was observed for inspection job descriptions, which included abbreviations and worksite-specific terminology. Although some manual coding will remain necessary, using SOCcer may improve the efficiency of incorporating occupation into large-scale epidemiological studies. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Support Center for Regulatory Atmospheric Modeling (SCRAM)

EPA Pesticide Factsheets

This technical site provides access to air quality models (including computer code, input data, and model processors) and other mathematical simulation techniques used in assessing air emissions control strategies and source impacts.

An open source device for operant licking in rats.

PubMed

Longley, Matthew; Willis, Ethan L; Tay, Cindy X; Chen, Hao

2017-01-01

We created an easy-to-use device for operant licking experiments and another device that records environmental variables. Both devices use the Raspberry Pi computer to obtain data from multiple input devices (e.g., radio frequency identification tag readers, touch and motion sensors, environmental sensors) and activate output devices (e.g., LED lights, syringe pumps) as needed. Data gathered from these devices are stored locally on the computer but can be automatically transferred to a remote server via a wireless network. We tested the operant device by training rats to obtain either sucrose or water under the control of a fixed ratio, a variable ratio, or a progressive ratio reinforcement schedule. The lick data demonstrated that the device has sufficient precision and time resolution to record the fast licking behavior of rats. Data from the environment monitoring device also showed reliable measurements. By providing the source code and 3D design under an open source license, we believe these examples will stimulate innovation in behavioral studies. The source code can be found at http://github.com/chen42/openbehavior.

An open source device for operant licking in rats

PubMed Central

Longley, Matthew; Willis, Ethan L.; Tay, Cindy X.

2017-01-01

We created an easy-to-use device for operant licking experiments and another device that records environmental variables. Both devices use the Raspberry Pi computer to obtain data from multiple input devices (e.g., radio frequency identification tag readers, touch and motion sensors, environmental sensors) and activate output devices (e.g., LED lights, syringe pumps) as needed. Data gathered from these devices are stored locally on the computer but can be automatically transferred to a remote server via a wireless network. We tested the operant device by training rats to obtain either sucrose or water under the control of a fixed ratio, a variable ratio, or a progressive ratio reinforcement schedule. The lick data demonstrated that the device has sufficient precision and time resolution to record the fast licking behavior of rats. Data from the environment monitoring device also showed reliable measurements. By providing the source code and 3D design under an open source license, we believe these examples will stimulate innovation in behavioral studies. The source code can be found at http://github.com/chen42/openbehavior. PMID:28229020

Final Report for ALCC Allocation: Predictive Simulation of Complex Flow in Wind Farms

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

Barone, Matthew F.; Ananthan, Shreyas; Churchfield, Matt

This report documents work performed using ALCC computing resources granted under a proposal submitted in February 2016, with the resource allocation period spanning the period July 2016 through June 2017. The award allocation was 10.7 million processor-hours at the National Energy Research Scientific Computing Center. The simulations performed were in support of two projects: the Atmosphere to Electrons (A2e) project, supported by the DOE EERE office; and the Exascale Computing Project (ECP), supported by the DOE Office of Science. The project team for both efforts consists of staff scientists and postdocs from Sandia National Laboratories and the National Renewable Energymore » Laboratory. At the heart of these projects is the open-source computational-fluid-dynamics (CFD) code, Nalu. Nalu solves the low-Mach-number Navier-Stokes equations using an unstructured- grid discretization. Nalu leverages the open-source Trilinos solver library and the Sierra Toolkit (STK) for parallelization and I/O. This report documents baseline computational performance of the Nalu code on problems of direct relevance to the wind plant physics application - namely, Large Eddy Simulation (LES) of an atmospheric boundary layer (ABL) flow and wall-modeled LES of a flow past a static wind turbine rotor blade. Parallel performance of Nalu and its constituent solver routines residing in the Trilinos library has been assessed previously under various campaigns. However, both Nalu and Trilinos have been, and remain, in active development and resources have not been available previously to rigorously track code performance over time. With the initiation of the ECP, it is important to establish and document baseline code performance on the problems of interest. This will allow the project team to identify and target any deficiencies in performance, as well as highlight any performance bottlenecks as we exercise the code on a greater variety of platforms and at larger scales. The current study is rather modest in scale, examining performance on problem sizes of O(100 million) elements and core counts up to 8k cores. This will be expanded as more computational resources become available to the projects.« less

Distributed Coding of Compressively Sensed Sources

NASA Astrophysics Data System (ADS)

Goukhshtein, Maxim

In this work we propose a new method for compressing multiple correlated sources with a very low-complexity encoder in the presence of side information. Our approach uses ideas from compressed sensing and distributed source coding. At the encoder, syndromes of the quantized compressively sensed sources are generated and transmitted. The decoder uses side information to predict the compressed sources. The predictions are then used to recover the quantized measurements via a two-stage decoding process consisting of bitplane prediction and syndrome decoding. Finally, guided by the structure of the sources and the side information, the sources are reconstructed from the recovered measurements. As a motivating example, we consider the compression of multispectral images acquired on board satellites, where resources, such as computational power and memory, are scarce. Our experimental results exhibit a significant improvement in the rate-distortion trade-off when compared against approaches with similar encoder complexity.

Advanced turboprop noise prediction based on recent theoretical results

NASA Technical Reports Server (NTRS)

Farassat, F.; Padula, S. L.; Dunn, M. H.

1987-01-01

The development of a high speed propeller noise prediction code at Langley Research Center is described. The code utilizes two recent acoustic formulations in the time domain for subsonic and supersonic sources. The structure and capabilities of the code are discussed. Grid size study for accuracy and speed of execution on a computer is also presented. The code is tested against an earlier Langley code. Considerable increase in accuracy and speed of execution are observed. Some examples of noise prediction of a high speed propeller for which acoustic test data are available are given. A brisk derivation of formulations used is given in an appendix.

Multiple Detector Optimization for Hidden Radiation Source Detection

DTIC Science & Technology

2015-03-26

important in achieving operationally useful methods for optimizing detector emplacement, the 2-D attenuation model approach promises to speed up the...process of hidden source detection significantly. The model focused on detection of the full energy peak of a radiation source. Methods to optimize... radioisotope identification is possible without using a computationally intensive stochastic model such as the Monte Carlo n-Particle (MCNP) code

Advanced turboprop noise prediction: Development of a code at NASA Langley based on recent theoretical results

NASA Technical Reports Server (NTRS)

Farassat, F.; Dunn, M. H.; Padula, S. L.

1986-01-01

The development of a high speed propeller noise prediction code at Langley Research Center is described. The code utilizes two recent acoustic formulations in the time domain for subsonic and supersonic sources. The structure and capabilities of the code are discussed. Grid size study for accuracy and speed of execution on a computer is also presented. The code is tested against an earlier Langley code. Considerable increase in accuracy and speed of execution are observed. Some examples of noise prediction of a high speed propeller for which acoustic test data are available are given. A brisk derivation of formulations used is given in an appendix.

International Natural Gas Model 2011, Model Documentation Report

EIA Publications

2013-01-01

This report documents the objectives, analytical approach and development of the International Natural Gas Model (INGM). It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

OpenSWPC: an open-source integrated parallel simulation code for modeling seismic wave propagation in 3D heterogeneous viscoelastic media

NASA Astrophysics Data System (ADS)

Maeda, Takuto; Takemura, Shunsuke; Furumura, Takashi

2017-07-01

We have developed an open-source software package, Open-source Seismic Wave Propagation Code (OpenSWPC), for parallel numerical simulations of seismic wave propagation in 3D and 2D (P-SV and SH) viscoelastic media based on the finite difference method in local-to-regional scales. This code is equipped with a frequency-independent attenuation model based on the generalized Zener body and an efficient perfectly matched layer for absorbing boundary condition. A hybrid-style programming using OpenMP and the Message Passing Interface (MPI) is adopted for efficient parallel computation. OpenSWPC has wide applicability for seismological studies and great portability to allowing excellent performance from PC clusters to supercomputers. Without modifying the code, users can conduct seismic wave propagation simulations using their own velocity structure models and the necessary source representations by specifying them in an input parameter file. The code has various modes for different types of velocity structure model input and different source representations such as single force, moment tensor and plane-wave incidence, which can easily be selected via the input parameters. Widely used binary data formats, the Network Common Data Form (NetCDF) and the Seismic Analysis Code (SAC) are adopted for the input of the heterogeneous structure model and the outputs of the simulation results, so users can easily handle the input/output datasets. All codes are written in Fortran 2003 and are available with detailed documents in a public repository.[Figure not available: see fulltext.

Sirepo for Synchrotron Radiation Workshop

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

Nagler, Robert; Moeller, Paul; Rakitin, Maksim

Sirepo is an open source framework for cloud computing. The graphical user interface (GUI) for Sirepo, also known as the client, executes in any HTML5 compliant web browser on any computing platform, including tablets. The client is built in JavaScript, making use of the following open source libraries: Bootstrap, which is fundamental for cross-platform web applications; AngularJS, which provides a model–view–controller (MVC) architecture and GUI components; and D3.js, which provides interactive plots and data-driven transformations. The Sirepo server is built on the following Python technologies: Flask, which is a lightweight framework for web development; Jinja, which is a secure andmore » widely used templating language; and Werkzeug, a utility library that is compliant with the WSGI standard. We use Nginx as the HTTP server and proxy, which provides a scalable event-driven architecture. The physics codes supported by Sirepo execute inside a Docker container. One of the codes supported by Sirepo is the Synchrotron Radiation Workshop (SRW). SRW computes synchrotron radiation from relativistic electrons in arbitrary magnetic fields and propagates the radiation wavefronts through optical beamlines. SRW is open source and is primarily supported by Dr. Oleg Chubar of NSLS-II at Brookhaven National Laboratory.« less

EXPERIENCES FROM THE SOURCE-TERM ANALYSIS OF A LOW AND INTERMEDIATE LEVEL RADWASTE DISPOSAL FACILITY

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

Park,Jin Beak; Park, Joo-Wan; Lee, Eun-Young

2003-02-27

Enhancement of a computer code SAGE for evaluation of the Korean concept for a LILW waste disposal facility is discussed. Several features of source term analysis are embedded into SAGE to analyze: (1) effects of degradation mode of an engineered barrier, (2) effects of dispersion phenomena in the unsaturated zone and (3) effects of time dependent sorption coefficient in the unsaturated zone. IAEA's Vault Safety Case (VSC) approach is used to demonstrate the ability of this assessment code. Results of MASCOT are used for comparison purposes. These enhancements of the safety assessment code, SAGE, can contribute to realistic evaluation ofmore » the Korean concept of the LILW disposal project in the near future.« less

Anode optimization for miniature electronic brachytherapy X-ray sources using Monte Carlo and computational fluid dynamic codes

PubMed Central

Khajeh, Masoud; Safigholi, Habib

2015-01-01

A miniature X-ray source has been optimized for electronic brachytherapy. The cooling fluid for this device is water. Unlike the radionuclide brachytherapy sources, this source is able to operate at variable voltages and currents to match the dose with the tumor depth. First, Monte Carlo (MC) optimization was performed on the tungsten target-buffer thickness layers versus energy such that the minimum X-ray attenuation occurred. Second optimization was done on the selection of the anode shape based on the Monte Carlo in water TG-43U1 anisotropy function. This optimization was carried out to get the dose anisotropy functions closer to unity at any angle from 0° to 170°. Three anode shapes including cylindrical, spherical, and conical were considered. Moreover, by Computational Fluid Dynamic (CFD) code the optimal target-buffer shape and different nozzle shapes for electronic brachytherapy were evaluated. The characterization criteria of the CFD were the minimum temperature on the anode shape, cooling water, and pressure loss from inlet to outlet. The optimal anode was conical in shape with a conical nozzle. Finally, the TG-43U1 parameters of the optimal source were compared with the literature. PMID:26966563

Coarse Grid Modeling of Turbine Film Cooling Flows Using Volumetric Source Terms

NASA Technical Reports Server (NTRS)

Heidmann, James D.; Hunter, Scott D.

2001-01-01

The recent trend in numerical modeling of turbine film cooling flows has been toward higher fidelity grids and more complex geometries. This trend has been enabled by the rapid increase in computing power available to researchers. However, the turbine design community requires fast turnaround time in its design computations, rendering these comprehensive simulations ineffective in the design cycle. The present study describes a methodology for implementing a volumetric source term distribution in a coarse grid calculation that can model the small-scale and three-dimensional effects present in turbine film cooling flows. This model could be implemented in turbine design codes or in multistage turbomachinery codes such as APNASA, where the computational grid size may be larger than the film hole size. Detailed computations of a single row of 35 deg round holes on a flat plate have been obtained for blowing ratios of 0.5, 0.8, and 1.0, and density ratios of 1.0 and 2.0 using a multiblock grid system to resolve the flows on both sides of the plate as well as inside the hole itself. These detailed flow fields were spatially averaged to generate a field of volumetric source terms for each conservative flow variable. Solutions were also obtained using three coarse grids having streamwise and spanwise grid spacings of 3d, 1d, and d/3. These coarse grid solutions used the integrated hole exit mass, momentum, energy, and turbulence quantities from the detailed solutions as volumetric source terms. It is shown that a uniform source term addition over a distance from the wall on the order of the hole diameter is able to predict adiabatic film effectiveness better than a near-wall source term model, while strictly enforcing correct values of integrated boundary layer quantities.

Task 7: ADPAC User's Manual

NASA Technical Reports Server (NTRS)

Hall, E. J.; Topp, D. A.; Delaney, R. A.

1996-01-01

The overall objective of this study was to develop a 3-D numerical analysis for compressor casing treatment flowfields. The current version of the computer code resulting from this study is referred to as ADPAC (Advanced Ducted Propfan Analysis Codes-Version 7). This report is intended to serve as a computer program user's manual for the ADPAC code developed under Tasks 6 and 7 of the NASA Contract. The ADPAC program is based on a flexible multiple- block grid discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. An iterative implicit algorithm is available for rapid time-dependent flow calculations, and an advanced two equation turbulence model is incorporated to predict complex turbulent flows. The consolidated code generated during this study is capable of executing in either a serial or parallel computing mode from a single source code. Numerous examples are given in the form of test cases to demonstrate the utility of this approach for predicting the aerodynamics of modem turbomachinery configurations.

Report of experiments and evidence for ASC L2 milestone 4467 : demonstration of a legacy application's path to exascale.

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

Curry, Matthew L.; Ferreira, Kurt Brian; Pedretti, Kevin Thomas Tauke

2012-03-01

This report documents thirteen of Sandia's contributions to the Computational Systems and Software Environment (CSSE) within the Advanced Simulation and Computing (ASC) program between fiscal years 2009 and 2012. It describes their impact on ASC applications. Most contributions are implemented in lower software levels allowing for application improvement without source code changes. Improvements are identified in such areas as reduced run time, characterizing power usage, and Input/Output (I/O). Other experiments are more forward looking, demonstrating potential bottlenecks using mini-application versions of the legacy codes and simulating their network activity on Exascale-class hardware. The purpose of this report is to provemore » that the team has completed milestone 4467-Demonstration of a Legacy Application's Path to Exascale. Cielo is expected to be the last capability system on which existing ASC codes can run without significant modifications. This assertion will be tested to determine where the breaking point is for an existing highly scalable application. The goal is to stretch the performance boundaries of the application by applying recent CSSE RD in areas such as resilience, power, I/O, visualization services, SMARTMAP, lightweight LWKs, virtualization, simulation, and feedback loops. Dedicated system time reservations and/or CCC allocations will be used to quantify the impact of system-level changes to extend the life and performance of the ASC code base. Finally, a simulation of anticipated exascale-class hardware will be performed using SST to supplement the calculations. Determine where the breaking point is for an existing highly scalable application: Chapter 15 presented the CSSE work that sought to identify the breaking point in two ASC legacy applications-Charon and CTH. Their mini-app versions were also employed to complete the task. There is no single breaking point as more than one issue was found with the two codes. The results were that applications can expect to encounter performance issues related to the computing environment, system software, and algorithms. Careful profiling of runtime performance will be needed to identify the source of an issue, in strong combination with knowledge of system software and application source code.« less

YNOGK: A New Public Code for Calculating Null Geodesics in the Kerr Spacetime

NASA Astrophysics Data System (ADS)

Yang, Xiaolin; Wang, Jiancheng

2013-07-01

Following the work of Dexter & Agol, we present a new public code for the fast calculation of null geodesics in the Kerr spacetime. Using Weierstrass's and Jacobi's elliptic functions, we express all coordinates and affine parameters as analytical and numerical functions of a parameter p, which is an integral value along the geodesic. This is the main difference between our code and previous similar ones. The advantage of this treatment is that the information about the turning points does not need to be specified in advance by the user, and many applications such as imaging, the calculation of line profiles, and the observer-emitter problem, become root-finding problems. All elliptic integrations are computed by Carlson's elliptic integral method as in Dexter & Agol, which guarantees the fast computational speed of our code. The formulae to compute the constants of motion given by Cunningham & Bardeen have been extended, which allow one to readily handle situations in which the emitter or the observer has an arbitrary distance from, and motion state with respect to, the central compact object. The validation of the code has been extensively tested through applications to toy problems from the literature. The source FORTRAN code is freely available for download on our Web site http://www1.ynao.ac.cn/~yangxl/yxl.html.

Linear-Algebra Programs

NASA Technical Reports Server (NTRS)

Lawson, C. L.; Krogh, F. T.; Gold, S. S.; Kincaid, D. R.; Sullivan, J.; Williams, E.; Hanson, R. J.; Haskell, K.; Dongarra, J.; Moler, C. B.

1982-01-01

The Basic Linear Algebra Subprograms (BLAS) library is a collection of 38 FORTRAN-callable routines for performing basic operations of numerical linear algebra. BLAS library is portable and efficient source of basic operations for designers of programs involving linear algebriac computations. BLAS library is supplied in portable FORTRAN and Assembler code versions for IBM 370, UNIVAC 1100 and CDC 6000 series computers.

A Real-Time Plagiarism Detection Tool for Computer-Based Assessments

ERIC Educational Resources Information Center

Jeske, Heimo J.; Lall, Manoj; Kogeda, Okuthe P.

2018-01-01

Aim/Purpose: The aim of this article is to develop a tool to detect plagiarism in real time amongst students being evaluated for learning in a computer-based assessment setting. Background: Cheating or copying all or part of source code of a program is a serious concern to academic institutions. Many academic institutions apply a combination of…

Numerical ‘health check’ for scientific codes: the CADNA approach

NASA Astrophysics Data System (ADS)

Scott, N. S.; Jézéquel, F.; Denis, C.; Chesneaux, J.-M.

2007-04-01

Scientific computation has unavoidable approximations built into its very fabric. One important source of error that is difficult to detect and control is round-off error propagation which originates from the use of finite precision arithmetic. We propose that there is a need to perform regular numerical 'health checks' on scientific codes in order to detect the cancerous effect of round-off error propagation. This is particularly important in scientific codes that are built on legacy software. We advocate the use of the CADNA library as a suitable numerical screening tool. We present a case study to illustrate the practical use of CADNA in scientific codes that are of interest to the Computer Physics Communications readership. In doing so we hope to stimulate a greater awareness of round-off error propagation and present a practical means by which it can be analyzed and managed.

Pteros: fast and easy to use open-source C++ library for molecular analysis.

PubMed

Yesylevskyy, Semen O

2012-07-15

An open-source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a number of routine analysis operations ranging from reading and writing trajectory files and geometry transformations to structural alignment and computation of nonbonded interaction energies. The library features asynchronous trajectory reading and parallel execution of several analysis routines, which greatly simplifies development of computationally intensive trajectory analysis algorithms. Pteros programming interface is very simple and intuitive while the source code is well documented and easily extendible. Pteros is available for free under open-source Artistic License from http://sourceforge.net/projects/pteros/. Copyright © 2012 Wiley Periodicals, Inc.

Exposure calculation code module for reactor core analysis: BURNER

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

Vondy, D.R.; Cunningham, G.W.

1979-02-01

The code module BURNER for nuclear reactor exposure calculations is presented. The computer requirements are shown, as are the reference data and interface data file requirements, and the programmed equations and procedure of calculation are described. The operating history of a reactor is followed over the period between solutions of the space, energy neutronics problem. The end-of-period nuclide concentrations are determined given the necessary information. A steady state, continuous fueling model is treated in addition to the usual fixed fuel model. The control options provide flexibility to select among an unusually wide variety of programmed procedures. The code also providesmore » user option to make a number of auxiliary calculations and print such information as the local gamma source, cumulative exposure, and a fine scale power density distribution in a selected zone. The code is used locally in a system for computation which contains the VENTURE diffusion theory neutronics code and other modules.« less

Software on the Peregrine System | High-Performance Computing | NREL

Science.gov Websites

. Development Tools View list of tools for build automation, version control, and high-level or specialized scripting. Toolchains Learn about the available toolchains to build applications from source code

Residential Demand Module - NEMS Documentation

EIA Publications

2017-01-01

Model Documentation - Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Residential Sector Demand Module. The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, and FORTRAN source code.

GeNN: a code generation framework for accelerated brain simulations

NASA Astrophysics Data System (ADS)

Yavuz, Esin; Turner, James; Nowotny, Thomas

2016-01-01

Large-scale numerical simulations of detailed brain circuit models are important for identifying hypotheses on brain functions and testing their consistency and plausibility. An ongoing challenge for simulating realistic models is, however, computational speed. In this paper, we present the GeNN (GPU-enhanced Neuronal Networks) framework, which aims to facilitate the use of graphics accelerators for computational models of large-scale neuronal networks to address this challenge. GeNN is an open source library that generates code to accelerate the execution of network simulations on NVIDIA GPUs, through a flexible and extensible interface, which does not require in-depth technical knowledge from the users. We present performance benchmarks showing that 200-fold speedup compared to a single core of a CPU can be achieved for a network of one million conductance based Hodgkin-Huxley neurons but that for other models the speedup can differ. GeNN is available for Linux, Mac OS X and Windows platforms. The source code, user manual, tutorials, Wiki, in-depth example projects and all other related information can be found on the project website http://genn-team.github.io/genn/.

GeNN: a code generation framework for accelerated brain simulations.

PubMed

Yavuz, Esin; Turner, James; Nowotny, Thomas

2016-01-07

Large-scale numerical simulations of detailed brain circuit models are important for identifying hypotheses on brain functions and testing their consistency and plausibility. An ongoing challenge for simulating realistic models is, however, computational speed. In this paper, we present the GeNN (GPU-enhanced Neuronal Networks) framework, which aims to facilitate the use of graphics accelerators for computational models of large-scale neuronal networks to address this challenge. GeNN is an open source library that generates code to accelerate the execution of network simulations on NVIDIA GPUs, through a flexible and extensible interface, which does not require in-depth technical knowledge from the users. We present performance benchmarks showing that 200-fold speedup compared to a single core of a CPU can be achieved for a network of one million conductance based Hodgkin-Huxley neurons but that for other models the speedup can differ. GeNN is available for Linux, Mac OS X and Windows platforms. The source code, user manual, tutorials, Wiki, in-depth example projects and all other related information can be found on the project website http://genn-team.github.io/genn/.

GeNN: a code generation framework for accelerated brain simulations

PubMed Central

Yavuz, Esin; Turner, James; Nowotny, Thomas

2016-01-01

Large-scale numerical simulations of detailed brain circuit models are important for identifying hypotheses on brain functions and testing their consistency and plausibility. An ongoing challenge for simulating realistic models is, however, computational speed. In this paper, we present the GeNN (GPU-enhanced Neuronal Networks) framework, which aims to facilitate the use of graphics accelerators for computational models of large-scale neuronal networks to address this challenge. GeNN is an open source library that generates code to accelerate the execution of network simulations on NVIDIA GPUs, through a flexible and extensible interface, which does not require in-depth technical knowledge from the users. We present performance benchmarks showing that 200-fold speedup compared to a single core of a CPU can be achieved for a network of one million conductance based Hodgkin-Huxley neurons but that for other models the speedup can differ. GeNN is available for Linux, Mac OS X and Windows platforms. The source code, user manual, tutorials, Wiki, in-depth example projects and all other related information can be found on the project website http://genn-team.github.io/genn/. PMID:26740369

Methods for nuclear air-cleaning-system accident-consequence assessment

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

Andrae, R.W.; Bolstad, J.W.; Gregory, W.S.

1982-01-01

This paper describes a multilaboratory research program that is directed toward addressing many questions that analysts face when performing air cleaning accident consequence assessments. The program involves developing analytical tools and supportive experimental data that will be useful in making more realistic assessments of accident source terms within and up to the atmospheric boundaries of nuclear fuel cycle facilities. The types of accidents considered in this study includes fires, explosions, spills, tornadoes, criticalities, and equipment failures. The main focus of the program is developing an accident analysis handbook (AAH). We will describe the contents of the AAH, which include descriptionsmore » of selected nuclear fuel cycle facilities, process unit operations, source-term development, and accident consequence analyses. Three computer codes designed to predict gas and material propagation through facility air cleaning systems are described. These computer codes address accidents involving fires (FIRAC), explosions (EXPAC), and tornadoes (TORAC). The handbook relies on many illustrative examples to show the analyst how to approach accident consequence assessments. We will use the FIRAC code and a hypothetical fire scenario to illustrate the accident analysis capability.« less

Computational performance of a smoothed particle hydrodynamics simulation for shared-memory parallel computing

NASA Astrophysics Data System (ADS)

Nishiura, Daisuke; Furuichi, Mikito; Sakaguchi, Hide

2015-09-01

The computational performance of a smoothed particle hydrodynamics (SPH) simulation is investigated for three types of current shared-memory parallel computer devices: many integrated core (MIC) processors, graphics processing units (GPUs), and multi-core CPUs. We are especially interested in efficient shared-memory allocation methods for each chipset, because the efficient data access patterns differ between compute unified device architecture (CUDA) programming for GPUs and OpenMP programming for MIC processors and multi-core CPUs. We first introduce several parallel implementation techniques for the SPH code, and then examine these on our target computer architectures to determine the most effective algorithms for each processor unit. In addition, we evaluate the effective computing performance and power efficiency of the SPH simulation on each architecture, as these are critical metrics for overall performance in a multi-device environment. In our benchmark test, the GPU is found to produce the best arithmetic performance as a standalone device unit, and gives the most efficient power consumption. The multi-core CPU obtains the most effective computing performance. The computational speed of the MIC processor on Xeon Phi approached that of two Xeon CPUs. This indicates that using MICs is an attractive choice for existing SPH codes on multi-core CPUs parallelized by OpenMP, as it gains computational acceleration without the need for significant changes to the source code.

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

Hiller, Mauritius M.; Veinot, Kenneth G.; Easterly, Clay E.

In this study, methods are addressed to reduce the computational time to compute organ-dose rate coefficients using Monte Carlo techniques. Several variance reduction techniques are compared including the reciprocity method, importance sampling, weight windows and the use of the ADVANTG software package. For low-energy photons, the runtime was reduced by a factor of 10 5 when using the reciprocity method for kerma computation for immersion of a phantom in contaminated water. This is particularly significant since impractically long simulation times are required to achieve reasonable statistical uncertainties in organ dose for low-energy photons in this source medium and geometry. Althoughmore » the MCNP Monte Carlo code is used in this paper, the reciprocity technique can be used equally well with other Monte Carlo codes.« less

Computer codes for the evaluation of thermodynamic and transport properties for equilibrium air to 30000 K

NASA Technical Reports Server (NTRS)

Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.

1991-01-01

The computer codes developed here provide self-consistent thermodynamic and transport properties for equilibrium air for temperatures from 500 to 30000 K over a temperature range of 10 (exp -4) to 10 (exp -2) atm. These properties are computed through the use of temperature dependent curve fits for discrete values of pressure. Interpolation is employed for intermediate values of pressure. The curve fits are based on mixture values calculated from an 11-species air model. Individual species properties used in the mixture relations are obtained from a recent study by the present authors. A review and discussion of the sources and accuracy of the curve fitted data used herein are given in NASA RP 1260.

GALARIO: a GPU accelerated library for analysing radio interferometer observations

NASA Astrophysics Data System (ADS)

Tazzari, Marco; Beaujean, Frederik; Testi, Leonardo

2018-06-01

We present GALARIO, a computational library that exploits the power of modern graphical processing units (GPUs) to accelerate the analysis of observations from radio interferometers like Atacama Large Millimeter and sub-millimeter Array or the Karl G. Jansky Very Large Array. GALARIO speeds up the computation of synthetic visibilities from a generic 2D model image or a radial brightness profile (for axisymmetric sources). On a GPU, GALARIO is 150 faster than standard PYTHON and 10 times faster than serial C++ code on a CPU. Highly modular, easy to use, and to adopt in existing code, GALARIO comes as two compiled libraries, one for Nvidia GPUs and one for multicore CPUs, where both have the same functions with identical interfaces. GALARIO comes with PYTHON bindings but can also be directly used in C or C++. The versatility and the speed of GALARIO open new analysis pathways that otherwise would be prohibitively time consuming, e.g. fitting high-resolution observations of large number of objects, or entire spectral cubes of molecular gas emission. It is a general tool that can be applied to any field that uses radio interferometer observations. The source code is available online at http://github.com/mtazzari/galario under the open source GNU Lesser General Public License v3.

Sirepo - Warp

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

Nagler, Robert; Moeller, Paul

Sirepo is an open source framework for cloud computing. The graphical user interface (GUI) for Sirepo, also known as the client, executes in any HTML5 compliant web browser on any computing platform, including tablets. The client is built in JavaScript, making use of the following open source libraries: Bootstrap, which is fundamental for cross-platform web applications; AngularJS, which provides a model–view–controller (MVC) architecture and GUI components; and D3.js, which provides interactive plots and data-driven transformations. The Sirepo server is built on the following Python technologies: Flask, which is a lightweight framework for web development; Jin-ja, which is a secure andmore » widely used templating language; and Werkzeug, a utility library that is compliant with the WSGI standard. We use Nginx as the HTTP server and proxy, which provides a scalable event-driven architecture. The physics codes supported by Sirepo execute inside a Docker container. One of the codes supported by Sirepo is Warp. Warp is a particle-in-cell (PIC) code de-signed to simulate high-intensity charged particle beams and plasmas in both the electrostatic and electromagnetic regimes, with a wide variety of integrated physics models and diagnostics. At pre-sent, Sirepo supports a small subset of Warp’s capabilities. Warp is open source and is part of the Berkeley Lab Accelerator Simulation Toolkit.« less

: A Scalable and Transparent System for Simulating MPI Programs

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

Perumalla, Kalyan S

2010-01-01

is a scalable, transparent system for experimenting with the execution of parallel programs on simulated computing platforms. The level of simulated detail can be varied for application behavior as well as for machine characteristics. Unique features of are repeatability of execution, scalability to millions of simulated (virtual) MPI ranks, scalability to hundreds of thousands of host (real) MPI ranks, portability of the system to a variety of host supercomputing platforms, and the ability to experiment with scientific applications whose source-code is available. The set of source-code interfaces supported by is being expanded to support a wider set of applications, andmore » MPI-based scientific computing benchmarks are being ported. In proof-of-concept experiments, has been successfully exercised to spawn and sustain very large-scale executions of an MPI test program given in source code form. Low slowdowns are observed, due to its use of purely discrete event style of execution, and due to the scalability and efficiency of the underlying parallel discrete event simulation engine, sik. In the largest runs, has been executed on up to 216,000 cores of a Cray XT5 supercomputer, successfully simulating over 27 million virtual MPI ranks, each virtual rank containing its own thread context, and all ranks fully synchronized by virtual time.« less

Bring out your codes! Bring out your codes! (Increasing Software Visibility and Re-use)

NASA Astrophysics Data System (ADS)

Allen, A.; Berriman, B.; Brunner, R.; Burger, D.; DuPrie, K.; Hanisch, R. J.; Mann, R.; Mink, J.; Sandin, C.; Shortridge, K.; Teuben, P.

2013-10-01

Progress is being made in code discoverability and preservation, but as discussed at ADASS XXI, many codes still remain hidden from public view. With the Astrophysics Source Code Library (ASCL) now indexed by the SAO/NASA Astrophysics Data System (ADS), the introduction of a new journal, Astronomy & Computing, focused on astrophysics software, and the increasing success of education efforts such as Software Carpentry and SciCoder, the community has the opportunity to set a higher standard for its science by encouraging the release of software for examination and possible reuse. We assembled representatives of the community to present issues inhibiting code release and sought suggestions for tackling these factors. The session began with brief statements by panelists; the floor was then opened for discussion and ideas. Comments covered a diverse range of related topics and points of view, with apparent support for the propositions that algorithms should be readily available, code used to produce published scientific results should be made available, and there should be discovery mechanisms to allow these to be found easily. With increased use of resources such as GitHub (for code availability), ASCL (for code discovery), and a stated strong preference from the new journal Astronomy & Computing for code release, we expect to see additional progress over the next few years.

Cultural and Technological Issues and Solutions for Geodynamics Software Citation

NASA Astrophysics Data System (ADS)

Heien, E. M.; Hwang, L.; Fish, A. E.; Smith, M.; Dumit, J.; Kellogg, L. H.

2014-12-01

Computational software and custom-written codes play a key role in scientific research and teaching, providing tools to perform data analysis and forward modeling through numerical computation. However, development of these codes is often hampered by the fact that there is no well-defined way for the authors to receive credit or professional recognition for their work through the standard methods of scientific publication and subsequent citation of the work. This in turn may discourage researchers from publishing their codes or making them easier for other scientists to use. We investigate the issues involved in citing software in a scientific context, and introduce features that should be components of a citation infrastructure, particularly oriented towards the codes and scientific culture in the area of geodynamics research. The codes used in geodynamics are primarily specialized numerical modeling codes for continuum mechanics problems; they may be developed by individual researchers, teams of researchers, geophysicists in collaboration with computational scientists and applied mathematicians, or by coordinated community efforts such as the Computational Infrastructure for Geodynamics. Some but not all geodynamics codes are open-source. These characteristics are common to many areas of geophysical software development and use. We provide background on the problem of software citation and discuss some of the barriers preventing adoption of such citations, including social/cultural barriers, insufficient technological support infrastructure, and an overall lack of agreement about what a software citation should consist of. We suggest solutions in an initial effort to create a system to support citation of software and promotion of scientific software development.

Condor-COPASI: high-throughput computing for biochemical networks

PubMed Central

2012-01-01

Background Mathematical modelling has become a standard technique to improve our understanding of complex biological systems. As models become larger and more complex, simulations and analyses require increasing amounts of computational power. Clusters of computers in a high-throughput computing environment can help to provide the resources required for computationally expensive model analysis. However, exploiting such a system can be difficult for users without the necessary expertise. Results We present Condor-COPASI, a server-based software tool that integrates COPASI, a biological pathway simulation tool, with Condor, a high-throughput computing environment. Condor-COPASI provides a web-based interface, which makes it extremely easy for a user to run a number of model simulation and analysis tasks in parallel. Tasks are transparently split into smaller parts, and submitted for execution on a Condor pool. Result output is presented to the user in a number of formats, including tables and interactive graphical displays. Conclusions Condor-COPASI can effectively use a Condor high-throughput computing environment to provide significant gains in performance for a number of model simulation and analysis tasks. Condor-COPASI is free, open source software, released under the Artistic License 2.0, and is suitable for use by any institution with access to a Condor pool. Source code is freely available for download at http://code.google.com/p/condor-copasi/, along with full instructions on deployment and usage. PMID:22834945

A new 3D maser code applied to flaring events

NASA Astrophysics Data System (ADS)

Gray, M. D.; Mason, L.; Etoka, S.

2018-06-01

We set out the theory and discretization scheme for a new finite-element computer code, written specifically for the simulation of maser sources. The code was used to compute fractional inversions at each node of a 3D domain for a range of optical thicknesses. Saturation behaviour of the nodes with regard to location and optical depth was broadly as expected. We have demonstrated via formal solutions of the radiative transfer equation that the apparent size of the model maser cloud decreases as expected with optical depth as viewed by a distant observer. Simulations of rotation of the cloud allowed the construction of light curves for a number of observable quantities. Rotation of the model cloud may be a reasonable model for quasi-periodic variability, but cannot explain periodic flaring.

Language-Agnostic Reproducible Data Analysis Using Literate Programming.

PubMed

Vassilev, Boris; Louhimo, Riku; Ikonen, Elina; Hautaniemi, Sampsa

2016-01-01

A modern biomedical research project can easily contain hundreds of analysis steps and lack of reproducibility of the analyses has been recognized as a severe issue. While thorough documentation enables reproducibility, the number of analysis programs used can be so large that in reality reproducibility cannot be easily achieved. Literate programming is an approach to present computer programs to human readers. The code is rearranged to follow the logic of the program, and to explain that logic in a natural language. The code executed by the computer is extracted from the literate source code. As such, literate programming is an ideal formalism for systematizing analysis steps in biomedical research. We have developed the reproducible computing tool Lir (literate, reproducible computing) that allows a tool-agnostic approach to biomedical data analysis. We demonstrate the utility of Lir by applying it to a case study. Our aim was to investigate the role of endosomal trafficking regulators to the progression of breast cancer. In this analysis, a variety of tools were combined to interpret the available data: a relational database, standard command-line tools, and a statistical computing environment. The analysis revealed that the lipid transport related genes LAPTM4B and NDRG1 are coamplified in breast cancer patients, and identified genes potentially cooperating with LAPTM4B in breast cancer progression. Our case study demonstrates that with Lir, an array of tools can be combined in the same data analysis to improve efficiency, reproducibility, and ease of understanding. Lir is an open-source software available at github.com/borisvassilev/lir.

Language-Agnostic Reproducible Data Analysis Using Literate Programming

PubMed Central

Vassilev, Boris; Louhimo, Riku; Ikonen, Elina; Hautaniemi, Sampsa

2016-01-01

A modern biomedical research project can easily contain hundreds of analysis steps and lack of reproducibility of the analyses has been recognized as a severe issue. While thorough documentation enables reproducibility, the number of analysis programs used can be so large that in reality reproducibility cannot be easily achieved. Literate programming is an approach to present computer programs to human readers. The code is rearranged to follow the logic of the program, and to explain that logic in a natural language. The code executed by the computer is extracted from the literate source code. As such, literate programming is an ideal formalism for systematizing analysis steps in biomedical research. We have developed the reproducible computing tool Lir (literate, reproducible computing) that allows a tool-agnostic approach to biomedical data analysis. We demonstrate the utility of Lir by applying it to a case study. Our aim was to investigate the role of endosomal trafficking regulators to the progression of breast cancer. In this analysis, a variety of tools were combined to interpret the available data: a relational database, standard command-line tools, and a statistical computing environment. The analysis revealed that the lipid transport related genes LAPTM4B and NDRG1 are coamplified in breast cancer patients, and identified genes potentially cooperating with LAPTM4B in breast cancer progression. Our case study demonstrates that with Lir, an array of tools can be combined in the same data analysis to improve efficiency, reproducibility, and ease of understanding. Lir is an open-source software available at github.com/borisvassilev/lir. PMID:27711123

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

NASA Astrophysics Data System (ADS)

Sharma, Diksha; Badal, Andreu; Badano, Aldo

2012-04-01

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

A multiphysics and multiscale software environment for modeling astrophysical systems

NASA Astrophysics Data System (ADS)

Portegies Zwart, Simon; McMillan, Steve; Harfst, Stefan; Groen, Derek; Fujii, Michiko; Nualláin, Breanndán Ó.; Glebbeek, Evert; Heggie, Douglas; Lombardi, James; Hut, Piet; Angelou, Vangelis; Banerjee, Sambaran; Belkus, Houria; Fragos, Tassos; Fregeau, John; Gaburov, Evghenii; Izzard, Rob; Jurić, Mario; Justham, Stephen; Sottoriva, Andrea; Teuben, Peter; van Bever, Joris; Yaron, Ofer; Zemp, Marcel

2009-05-01

We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale 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 multiscale and multiphysics 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 three examples calculated using MUSE: the merger of two galaxies, the merger of two evolving stars, and a hybrid N-body simulation. 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.

Status and future of MUSE

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.

The Fast Scattering Code (FSC): Validation Studies and Program Guidelines

NASA Technical Reports Server (NTRS)

Tinetti, Ana F.; Dunn, Mark H.

2011-01-01

The Fast Scattering Code (FSC) is a frequency domain noise prediction program developed at the NASA Langley Research Center (LaRC) to simulate the acoustic field produced by the interaction of known, time harmonic incident sound with bodies of arbitrary shape and surface impedance immersed in a potential flow. The code uses the equivalent source method (ESM) to solve an exterior 3-D Helmholtz boundary value problem (BVP) by expanding the scattered acoustic pressure field into a series of point sources distributed on a fictitious surface placed inside the actual scatterer. This work provides additional code validation studies and illustrates the range of code parameters that produce accurate results with minimal computational costs. Systematic noise prediction studies are presented in which monopole generated incident sound is scattered by simple geometric shapes - spheres (acoustically hard and soft surfaces), oblate spheroids, flat disk, and flat plates with various edge topologies. Comparisons between FSC simulations and analytical results and experimental data are presented.

MCNP capabilities for nuclear well logging calculations

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

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. This paper discusses how the general-purpose continuous-energy Monte Carlo code MCNP ({und M}onte {und C}arlo {und n}eutron {und p}hoton), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tallymore » characteristics with standard MCNP features. The time-dependent capability of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data.« less

Prediction of sound radiation from different practical jet engine inlets

NASA Technical Reports Server (NTRS)

Zinn, B. T.; Meyer, W. L.

1982-01-01

The computer codes necessary for this study were developed and checked against exact solutions generated by the point source method using the NASA Lewis QCSEE inlet geometry. These computer codes were used to predict the acoustic properties of the following five inlet configurations: the NASA Langley Bellmouth, the NASA Lewis JT15D-1 Ground Test Nacelle, and three finite hyperbolic inlets of 50, 70 and 90 degrees. Thirty-five computer runs were done for the NASA Langley Bellmouth. For each of these computer runs, the reflection coefficient at the duct exit plane was calculated as was the far field radiation pattern. These results are presented in both graphical and tabular form with many of the results cross plotted so that trends in the results verses cut-off ratio (wave number) and tangential mode number may be easily identified.

CFD and Neutron codes coupling on a computational platform

NASA Astrophysics Data System (ADS)

Cerroni, D.; Da Vià, R.; Manservisi, S.; Menghini, F.; Scardovelli, R.

2017-01-01

In this work we investigate the thermal-hydraulics behavior of a PWR nuclear reactor core, evaluating the power generation distribution taking into account the local temperature field. The temperature field, evaluated using a self-developed CFD module, is exchanged with a neutron code, DONJON-DRAGON, which updates the macroscopic cross sections and evaluates the new neutron flux. From the updated neutron flux the new peak factor is evaluated and the new temperature field is computed. The exchange of data between the two codes is obtained thanks to their inclusion into the computational platform SALOME, an open-source tools developed by the collaborative project NURESAFE. The numerical libraries MEDmem, included into the SALOME platform, are used in this work, for the projection of computational fields from one problem to another. The two problems are driven by a common supervisor that can access to the computational fields of both systems, in every time step, the temperature field, is extracted from the CFD problem and set into the neutron problem. After this iteration the new power peak factor is projected back into the CFD problem and the new time step can be computed. Several computational examples, where both neutron and thermal-hydraulics quantities are parametrized, are finally reported in this work.

Enhancing programming logic thinking using analogy mapping

NASA Astrophysics Data System (ADS)

Sukamto, R. A.; Megasari, R.

2018-05-01

Programming logic thinking is the most important competence for computer science students. However, programming is one of the difficult subject in computer science program. This paper reports our work about enhancing students' programming logic thinking using Analogy Mapping for basic programming subject. Analogy Mapping is a computer application which converts source code into analogies images. This research used time series evaluation and the result showed that Analogy Mapping can enhance students' programming logic thinking.

MCNP (Monte Carlo Neutron Photon) capabilities for nuclear well logging calculations

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

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. The general-purpose continuous-energy Monte Carlo code MCNP (Monte Carlo Neutron Photon), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tally characteristics with standard MCNP features. The time-dependent capabilitymore » of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data. A rich collections of variance reduction features can greatly increase the efficiency of a calculation. MCNP is written in FORTRAN 77 and has been run on variety of computer systems from scientific workstations to supercomputers. The next production version of MCNP will include features such as continuous-energy electron transport and a multitasking option. Areas of ongoing research of interest to the well logging community include angle biasing, adaptive Monte Carlo, improved discrete ordinates capabilities, and discrete ordinates/Monte Carlo hybrid development. Los Alamos has requested approval by the Department of Energy to create a Radiation Transport Computational Facility under their User Facility Program to increase external interactions with industry, universities, and other government organizations. 21 refs.« less

JETSPIN: A specific-purpose open-source software for simulations of nanofiber electrospinning

NASA Astrophysics Data System (ADS)

Lauricella, Marco; Pontrelli, Giuseppe; Coluzza, Ivan; Pisignano, Dario; Succi, Sauro

2015-12-01

We present the open-source computer program JETSPIN, specifically designed to simulate the electrospinning process of nanofibers. Its capabilities are shown with proper reference to the underlying model, as well as a description of the relevant input variables and associated test-case simulations. The various interactions included in the electrospinning model implemented in JETSPIN are discussed in detail. The code is designed to exploit different computational architectures, from single to parallel processor workstations. This paper provides an overview of JETSPIN, focusing primarily on its structure, parallel implementations, functionality, performance, and availability.

EUPDF: An Eulerian-Based Monte Carlo Probability Density Function (PDF) Solver. User's Manual

NASA Technical Reports Server (NTRS)

Raju, M. S.

1998-01-01

EUPDF is an Eulerian-based Monte Carlo PDF solver developed for application with sprays, combustion, parallel computing and unstructured grids. It is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and spray solvers. The solver accommodates the use of an unstructured mesh with mixed elements of either triangular, quadrilateral, and/or tetrahedral type. The manual provides the user with the coding required to couple the PDF code to any given flow code and a basic understanding of the EUPDF code structure as well as the models involved in the PDF formulation. The source code of EUPDF will be available with the release of the National Combustion Code (NCC) as a complete package.

World Energy Projection System Plus Model Documentation: Coal Module

EIA Publications

2011-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Coal Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: Transportation Module

EIA Publications

2017-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) International Transportation model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: Residential Module

EIA Publications

2016-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Residential Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: Refinery Module

EIA Publications

2016-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Refinery Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: Main Module

EIA Publications

2016-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Main Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

Transportation Sector Module - NEMS Documentation

EIA Publications

2017-01-01

Documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) Transportation Model (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model.

World Energy Projection System Plus Model Documentation: Electricity Module

EIA Publications

2017-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) World Electricity Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

Source Term Model for Vortex Generator Vanes in a Navier-Stokes Computer Code

NASA Technical Reports Server (NTRS)

Waithe, Kenrick A.

2004-01-01

A source term model for an array of vortex generators was implemented into a non-proprietary Navier-Stokes computer code, OVERFLOW. The source term models the side force created by a vortex generator vane. The model is obtained by introducing a side force to the momentum and energy equations that can adjust its strength automatically based on the local flow. The model was tested and calibrated by comparing data from numerical simulations and experiments of a single low profile vortex generator vane on a flat plate. In addition, the model was compared to experimental data of an S-duct with 22 co-rotating, low profile vortex generators. The source term model allowed a grid reduction of about seventy percent when compared with the numerical simulations performed on a fully gridded vortex generator on a flat plate without adversely affecting the development and capture of the vortex created. The source term model was able to predict the shape and size of the stream-wise vorticity and velocity contours very well when compared with both numerical simulations and experimental data. The peak vorticity and its location were also predicted very well when compared to numerical simulations and experimental data. The circulation predicted by the source term model matches the prediction of the numerical simulation. The source term model predicted the engine fan face distortion and total pressure recovery of the S-duct with 22 co-rotating vortex generators very well. The source term model allows a researcher to quickly investigate different locations of individual or a row of vortex generators. The researcher is able to conduct a preliminary investigation with minimal grid generation and computational time.

Workshop report - A validation study of Navier-Stokes codes for transverse injection into a Mach 2 flow

NASA Technical Reports Server (NTRS)

Eklund, Dean R.; Northam, G. B.; Mcdaniel, J. C.; Smith, Cliff

1992-01-01

A CFD (Computational Fluid Dynamics) competition was held at the Third Scramjet Combustor Modeling Workshop to assess the current state-of-the-art in CFD codes for the analysis of scramjet combustors. Solutions from six three-dimensional Navier-Stokes codes were compared for the case of staged injection of air behind a step into a Mach 2 flow. This case was investigated experimentally at the University of Virginia and extensive in-stream data was obtained. Code-to-code comparisons have been made with regard to both accuracy and efficiency. The turbulence models employed in the solutions are believed to be a major source of discrepancy between the six solutions.

Automatic Data Traffic Control on DSM Architecture

NASA Technical Reports Server (NTRS)

Frumkin, Michael; Jin, Hao-Qiang; Yan, Jerry; Kwak, Dochan (Technical Monitor)

2000-01-01

We study data traffic on distributed shared memory machines and conclude that data placement and grouping improve performance of scientific codes. We present several methods which user can employ to improve data traffic in his code. We report on implementation of a tool which detects the code fragments causing data congestions and advises user on improvements of data routing in these fragments. The capabilities of the tool include deduction of data alignment and affinity from the source code; detection of the code constructs having abnormally high cache or TLB misses; generation of data placement constructs. We demonstrate the capabilities of the tool on experiments with NAS parallel benchmarks and with a simple computational fluid dynamics application ARC3D.

Development of a GPU-Accelerated 3-D Full-Wave Code for Electromagnetic Wave Propagation in a Cold Plasma

NASA Astrophysics Data System (ADS)

Woodbury, D.; Kubota, S.; Johnson, I.

2014-10-01

Computer simulations of electromagnetic wave propagation in magnetized plasmas are an important tool for both plasma heating and diagnostics. For active millimeter-wave and microwave diagnostics, accurately modeling the evolution of the beam parameters for launched, reflected or scattered waves in a toroidal plasma requires that calculations be done using the full 3-D geometry. Previously, we reported on the application of GPGPU (General-Purpose computing on Graphics Processing Units) to a 3-D vacuum Maxwell code using the FDTD (Finite-Difference Time-Domain) method. Tests were done for Gaussian beam propagation with a hard source antenna, utilizing the parallel processing capabilities of the NVIDIA K20M. In the current study, we have modified the 3-D code to include a soft source antenna and an induced current density based on the cold plasma approximation. Results from Gaussian beam propagation in an inhomogeneous anisotropic plasma, along with comparisons to ray- and beam-tracing calculations will be presented. Additional enhancements, such as advanced coding techniques for improved speedup, will also be investigated. Supported by U.S. DoE Grant DE-FG02-99-ER54527 and in part by the U.S. DoE, Office of Science, WDTS under the Science Undergraduate Laboratory Internship program.

Fast in-memory elastic full-waveform inversion using consumer-grade GPUs

NASA Astrophysics Data System (ADS)

Sivertsen Bergslid, Tore; Birger Raknes, Espen; Arntsen, Børge

2017-04-01

Full-waveform inversion (FWI) is a technique to estimate subsurface properties by using the recorded waveform produced by a seismic source and applying inverse theory. This is done through an iterative optimization procedure, where each iteration requires solving the wave equation many times, then trying to minimize the difference between the modeled and the measured seismic data. Having to model many of these seismic sources per iteration means that this is a highly computationally demanding procedure, which usually involves writing a lot of data to disk. We have written code that does forward modeling and inversion entirely in memory. A typical HPC cluster has many more CPUs than GPUs. Since FWI involves modeling many seismic sources per iteration, the obvious approach is to parallelize the code on a source-by-source basis, where each core of the CPU performs one modeling, and do all modelings simultaneously. With this approach, the GPU is already at a major disadvantage in pure numbers. Fortunately, GPUs can more than make up for this hardware disadvantage by performing each modeling much faster than a CPU. Another benefit of parallelizing each individual modeling is that it lets each modeling use a lot more RAM. If one node has 128 GB of RAM and 20 CPU cores, each modeling can use only 6.4 GB RAM if one is running the node at full capacity with source-by-source parallelization on the CPU. A parallelized per-source code using GPUs can use 64 GB RAM per modeling. Whenever a modeling uses more RAM than is available and has to start using regular disk space the runtime increases dramatically, due to slow file I/O. The extremely high computational speed of the GPUs combined with the large amount of RAM available for each modeling lets us do high frequency FWI for fairly large models very quickly. For a single modeling, our GPU code outperforms the single-threaded CPU-code by a factor of about 75. Successful inversions have been run on data with frequencies up to 40 Hz for a model of 2001 by 600 grid points with 5 m grid spacing and 5000 time steps, in less than 2.5 minutes per source. In practice, using 15 nodes (30 GPUs) to model 101 sources, each iteration took approximately 9 minutes. For reference, the same inversion run with our CPU code uses two hours per iteration. This was done using only a very simple wavefield interpolation technique, saving every second timestep. Using a more sophisticated checkpointing or wavefield reconstruction method would allow us to increase this model size significantly. Our results show that ordinary gaming GPUs are a viable alternative to the expensive professional GPUs often used today, when performing large scale modeling and inversion in geophysics.

PV_LIB Toolbox v. 1.3

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

2015-12-09

PV_LIB comprises a library of Matlab? code for modeling photovoltaic (PV) systems. Included are functions to compute solar position and to estimate irradiance in the PV system's plane of array, cell temperature, PV module electrical output, and conversion from DC to AC power. Also included are functions that aid in determining parameters for module performance models from module characterization testing. PV_LIB is open source code primarily intended for research and academic purposes. All algorithms are documented in openly available literature with the appropriate references included in comments within the code.

User's manual for PRESTO: A computer code for the performance of regenerative steam turbine cycles

NASA Technical Reports Server (NTRS)

Fuller, L. C.; Stovall, T. K.

1979-01-01

Standard turbine cycles for baseload power plants and cycles with such additional features as process steam extraction and induction and feedwater heating by external heat sources may be modeled. Peaking and high back pressure cycles are also included. The code's methodology is to use the expansion line efficiencies, exhaust loss, leakages, mechanical losses, and generator losses to calculate the heat rate and generator output. A general description of the code is given as well as the instructions for input data preparation. Appended are two complete example cases.

A users' guide to the trace contaminant control simulation computer program

NASA Technical Reports Server (NTRS)

Perry, J. L.

1994-01-01

The Trace Contaminant Control Simulation computer program is a tool for assessing the performance of various trace contaminant control technologies for removing trace chemical contamination from a spacecraft cabin atmosphere. The results obtained from the program can be useful in assessing different technology combinations, system sizing, system location with respect to other life support systems, and the overall life cycle economics of a trace contaminant control system. The user's manual is extracted in its entirety from NASA TM-108409 to provide a stand-alone reference for using any version of the program. The first publication of the manual as part of TM-108409 also included a detailed listing of version 8.0 of the program. As changes to the code were necessary, it became apparent that the user's manual should be separate from the computer code documentation and be general enough to provide guidance in using any version of the program. Provided in the guide are tips for input file preparation, general program execution, and output file manipulation. Information concerning source code listings of the latest version of the computer program may be obtained by contacting the author.

Knowledge management: Role of the the Radiation Safety Information Computational Center (RSICC)

NASA Astrophysics Data System (ADS)

Valentine, Timothy

2017-09-01

The Radiation Safety Information Computational Center (RSICC) at Oak Ridge National Laboratory (ORNL) is an information analysis center that collects, archives, evaluates, synthesizes and distributes information, data and codes that are used in various nuclear technology applications. RSICC retains more than 2,000 software packages that have been provided by code developers from various federal and international agencies. RSICC's customers (scientists, engineers, and students from around the world) obtain access to such computing codes (source and/or executable versions) and processed nuclear data files to promote on-going research, to ensure nuclear and radiological safety, and to advance nuclear technology. The role of such information analysis centers is critical for supporting and sustaining nuclear education and training programs both domestically and internationally, as the majority of RSICC's customers are students attending U.S. universities. Additionally, RSICC operates a secure CLOUD computing system to provide access to sensitive export-controlled modeling and simulation (M&S) tools that support both domestic and international activities. This presentation will provide a general review of RSICC's activities, services, and systems that support knowledge management and education and training in the nuclear field.

Sustaining Open Source Communities through Hackathons - An Example from the ASPECT Community

NASA Astrophysics Data System (ADS)

Heister, T.; Hwang, L.; Bangerth, W.; Kellogg, L. H.

2016-12-01

The ecosystem surrounding a successful scientific open source software package combines both social and technical aspects. Much thought has been given to the technology side of writing sustainable software for large infrastructure projects and software libraries, but less about building the human capacity to perpetuate scientific software used in computational modeling. One effective format for building capacity is regular multi-day hackathons. Scientific hackathons bring together a group of science domain users and scientific software contributors to make progress on a specific software package. Innovation comes through the chance to work with established and new collaborations. Especially in the domain sciences with small communities, hackathons give geographically distributed scientists an opportunity to connect face-to-face. They foster lively discussions amongst scientists with different expertise, promote new collaborations, and increase transparency in both the technical and scientific aspects of code development. ASPECT is an open source, parallel, extensible finite element code to simulate thermal convection, that began development in 2011 under the Computational Infrastructure for Geodynamics. ASPECT hackathons for the past 3 years have grown the number of authors to >50, training new code maintainers in the process. Hackathons begin with leaders establishing project-specific conventions for development, demonstrating the workflow for code contributions, and reviewing relevant technical skills. Each hackathon expands the developer community. Over 20 scientists add >6,000 lines of code during the >1 week event. Participants grow comfortable contributing to the repository and over half continue to contribute afterwards. A high return rate of participants ensures continuity and stability of the group as well as mentoring for novice members. We hope to build other software communities on this model, but anticipate each to bring their own unique challenges.

Synchrotron Radiation Workshop (SRW)

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

Chubar, O.; Elleaume, P.

2013-03-01

"Synchrotron Radiation Workshop" (SRW) is a physical optics computer code for calculation of detailed characteristics of Synchrotron Radiation (SR) generated by relativistic electrons in magnetic fields of arbitrary configuration and for simulation of the radiation wavefront propagation through optical systems of beamlines. Frequency-domain near-field methods are used for the SR calculation, and the Fourier-optics based approach is generally used for the wavefront propagation simulation. The code enables both fully- and partially-coherent radiation propagation simulations in steady-state and in frequency-/time-dependent regimes. With these features, the code has already proven its utility for a large number of applications in infrared, UV, softmore » and hard X-ray spectral range, in such important areas as analysis of spectral performances of new synchrotron radiation sources, optimization of user beamlines, development of new optical elements, source and beamline diagnostics, and even complete simulation of SR based experiments. Besides the SR applications, the code can be efficiently used for various simulations involving conventional lasers and other sources. SRW versions interfaced to Python and to IGOR Pro (WaveMetrics), as well as cross-platform library with C API, are available.« less

Common radiation analysis model for 75,000 pound thrust NERVA engine (1137400E)

NASA Technical Reports Server (NTRS)

Warman, E. A.; Lindsey, B. A.

1972-01-01

The mathematical model and sources of radiation used for the radiation analysis and shielding activities in support of the design of the 1137400E version of the 75,000 lbs thrust NERVA engine are presented. The nuclear subsystem (NSS) and non-nuclear components are discussed. The geometrical model for the NSS is two dimensional as required for the DOT discrete ordinates computer code or for an azimuthally symetrical three dimensional Point Kernel or Monte Carlo code. The geometrical model for the non-nuclear components is three dimensional in the FASTER geometry format. This geometry routine is inherent in the ANSC versions of the QAD and GGG Point Kernal programs and the COHORT Monte Carlo program. Data are included pertaining to a pressure vessel surface radiation source data tape which has been used as the basis for starting ANSC analyses with the DASH code to bridge into the COHORT Monte Carlo code using the WANL supplied DOT angular flux leakage data. In addition to the model descriptions and sources of radiation, the methods of analyses are briefly described.

A Measurement and Simulation Based Methodology for Cache Performance Modeling and Tuning

NASA Technical Reports Server (NTRS)

Waheed, Abdul; Yan, Jerry; Saini, Subhash (Technical Monitor)

1998-01-01

We present a cache performance modeling methodology that facilitates the tuning of uniprocessor cache performance for applications executing on shared memory multiprocessors by accurately predicting the effects of source code level modifications. Measurements on a single processor are initially used for identifying parts of code where cache utilization improvements may significantly impact the overall performance. Cache simulation based on trace-driven techniques can be carried out without gathering detailed address traces. Minimal runtime information for modeling cache performance of a selected code block includes: base virtual addresses of arrays, virtual addresses of variables, and loop bounds for that code block. Rest of the information is obtained from the source code. We show that the cache performance predictions are as reliable as those obtained through trace-driven simulations. This technique is particularly helpful to the exploration of various "what-if' scenarios regarding the cache performance impact for alternative code structures. We explain and validate this methodology using a simple matrix-matrix multiplication program. We then apply this methodology to predict and tune the cache performance of two realistic scientific applications taken from the Computational Fluid Dynamics (CFD) domain.

Parallelization of interpolation, solar radiation and water flow simulation modules in GRASS GIS using OpenMP

NASA Astrophysics Data System (ADS)

Hofierka, Jaroslav; Lacko, Michal; Zubal, Stanislav

2017-10-01

In this paper, we describe the parallelization of three complex and computationally intensive modules of GRASS GIS using the OpenMP application programming interface for multi-core computers. These include the v.surf.rst module for spatial interpolation, the r.sun module for solar radiation modeling and the r.sim.water module for water flow simulation. We briefly describe the functionality of the modules and parallelization approaches used in the modules. Our approach includes the analysis of the module's functionality, identification of source code segments suitable for parallelization and proper application of OpenMP parallelization code to create efficient threads processing the subtasks. We document the efficiency of the solutions using the airborne laser scanning data representing land surface in the test area and derived high-resolution digital terrain model grids. We discuss the performance speed-up and parallelization efficiency depending on the number of processor threads. The study showed a substantial increase in computation speeds on a standard multi-core computer while maintaining the accuracy of results in comparison to the output from original modules. The presented parallelization approach showed the simplicity and efficiency of the parallelization of open-source GRASS GIS modules using OpenMP, leading to an increased performance of this geospatial software on standard multi-core computers.

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

Gharibyan, N.

In order to fully characterize the NIF neutron spectrum, SAND-II-SNL software was requested/received from the Radiation Safety Information Computational Center. The software is designed to determine the neutron energy spectrum through analysis of experimental activation data. However, given that the source code was developed in Sparcstation 10, it is not compatible with current version of FORTRAN. Accounts have been established through the Lawrence Livermore National Laboratory’s High Performance Computing in order to access different compiles for FORTRAN (e.g. pgf77, pgf90). Additionally, several of the subroutines included in the SAND-II-SNL package have required debugging efforts to allow for proper compiling ofmore » the code.« less

Speeding Up Ecological and Evolutionary Computations in R; Essentials of High Performance Computing for Biologists

PubMed Central

Visser, Marco D.; McMahon, Sean M.; Merow, Cory; Dixon, Philip M.; Record, Sydne; Jongejans, Eelke

2015-01-01

Computation has become a critical component of research in biology. A risk has emerged that computational and programming challenges may limit research scope, depth, and quality. We review various solutions to common computational efficiency problems in ecological and evolutionary research. Our review pulls together material that is currently scattered across many sources and emphasizes those techniques that are especially effective for typical ecological and environmental problems. We demonstrate how straightforward it can be to write efficient code and implement techniques such as profiling or parallel computing. We supply a newly developed R package (aprof) that helps to identify computational bottlenecks in R code and determine whether optimization can be effective. Our review is complemented by a practical set of examples and detailed Supporting Information material (S1–S3 Texts) that demonstrate large improvements in computational speed (ranging from 10.5 times to 14,000 times faster). By improving computational efficiency, biologists can feasibly solve more complex tasks, ask more ambitious questions, and include more sophisticated analyses in their research. PMID:25811842

The efficiency of geophysical adjoint codes generated by automatic differentiation tools

NASA Astrophysics Data System (ADS)

Vlasenko, A. V.; Köhl, A.; Stammer, D.

2016-02-01

The accuracy of numerical models that describe complex physical or chemical processes depends on the choice of model parameters. Estimating an optimal set of parameters by optimization algorithms requires knowledge of the sensitivity of the process of interest to model parameters. Typically the sensitivity computation involves differentiation of the model, which can be performed by applying algorithmic differentiation (AD) tools to the underlying numerical code. However, existing AD tools differ substantially in design, legibility and computational efficiency. In this study we show that, for geophysical data assimilation problems of varying complexity, the performance of adjoint codes generated by the existing AD tools (i) Open_AD, (ii) Tapenade, (iii) NAGWare and (iv) Transformation of Algorithms in Fortran (TAF) can be vastly different. Based on simple test problems, we evaluate the efficiency of each AD tool with respect to computational speed, accuracy of the adjoint, the efficiency of memory usage, and the capability of each AD tool to handle modern FORTRAN 90-95 elements such as structures and pointers, which are new elements that either combine groups of variables or provide aliases to memory addresses, respectively. We show that, while operator overloading tools are the only ones suitable for modern codes written in object-oriented programming languages, their computational efficiency lags behind source transformation by orders of magnitude, rendering the application of these modern tools to practical assimilation problems prohibitive. In contrast, the application of source transformation tools appears to be the most efficient choice, allowing handling even large geophysical data assimilation problems. However, they can only be applied to numerical models written in earlier generations of programming languages. Our study indicates that applying existing AD tools to realistic geophysical problems faces limitations that urgently need to be solved to allow the continuous use of AD tools for solving geophysical problems on modern computer architectures.

Parallelization of sequential Gaussian, indicator and direct simulation algorithms

NASA Astrophysics Data System (ADS)

Nunes, Ruben; Almeida, José A.

2010-08-01

Improving the performance and robustness of algorithms on new high-performance parallel computing architectures is a key issue in efficiently performing 2D and 3D studies with large amount of data. In geostatistics, sequential simulation algorithms are good candidates for parallelization. When compared with other computational applications in geosciences (such as fluid flow simulators), sequential simulation software is not extremely computationally intensive, but parallelization can make it more efficient and creates alternatives for its integration in inverse modelling approaches. This paper describes the implementation and benchmarking of a parallel version of the three classic sequential simulation algorithms: direct sequential simulation (DSS), sequential indicator simulation (SIS) and sequential Gaussian simulation (SGS). For this purpose, the source used was GSLIB, but the entire code was extensively modified to take into account the parallelization approach and was also rewritten in the C programming language. The paper also explains in detail the parallelization strategy and the main modifications. Regarding the integration of secondary information, the DSS algorithm is able to perform simple kriging with local means, kriging with an external drift and collocated cokriging with both local and global correlations. SIS includes a local correction of probabilities. Finally, a brief comparison is presented of simulation results using one, two and four processors. All performance tests were carried out on 2D soil data samples. The source code is completely open source and easy to read. It should be noted that the code is only fully compatible with Microsoft Visual C and should be adapted for other systems/compilers.

The Julia programming language: the future of scientific computing

NASA Astrophysics Data System (ADS)

Gibson, John

2017-11-01

Julia is an innovative new open-source programming language for high-level, high-performance numerical computing. Julia combines the general-purpose breadth and extensibility of Python, the ease-of-use and numeric focus of Matlab, the speed of C and Fortran, and the metaprogramming power of Lisp. Julia uses type inference and just-in-time compilation to compile high-level user code to machine code on the fly. A rich set of numeric types and extensive numerical libraries are built-in. As a result, Julia is competitive with Matlab for interactive graphical exploration and with C and Fortran for high-performance computing. This talk interactively demonstrates Julia's numerical features and benchmarks Julia against C, C++, Fortran, Matlab, and Python on a spectral time-stepping algorithm for a 1d nonlinear partial differential equation. The Julia code is nearly as compact as Matlab and nearly as fast as Fortran. This material is based upon work supported by the National Science Foundation under Grant No. 1554149.

A review of high-speed, convective, heat-transfer computation methods

NASA Technical Reports Server (NTRS)

Tauber, Michael E.

1989-01-01

The objective of this report is to provide useful engineering formulations and to instill a modest degree of physical understanding of the phenomena governing convective aerodynamic heating at high flight speeds. Some physical insight is not only essential to the application of the information presented here, but also to the effective use of computer codes which may be available to the reader. A discussion is given of cold-wall, laminar boundary layer heating. A brief presentation of the complex boundary layer transition phenomenon follows. Next, cold-wall turbulent boundary layer heating is discussed. This topic is followed by a brief coverage of separated flow-region and shock-interaction heating. A review of heat protection methods follows, including the influence of mass addition on laminar and turbulent boundary layers. Also discussed are a discussion of finite-difference computer codes and a comparison of some results from these codes. An extensive list of references is also provided from sources such as the various AIAA journals and NASA reports which are available in the open literature.

A review of high-speed, convective, heat-transfer computation methods

NASA Technical Reports Server (NTRS)

Tauber, Michael E.

1989-01-01

The objective is to provide useful engineering formulations and to instill a modest degree of physical understanding of the phenomena governing convective aerodynamic heating at high flight speeds. Some physical insight is not only essential to the application of the information presented here, but also to the effective use of computer codes which may be available to the reader. Given first is a discussion of cold-wall, laminar boundary layer heating. A brief presentation of the complex boundary layer transition phenomenon follows. Next, cold-wall turbulent boundary layer heating is discussed. This topic is followed by a brief coverage of separated flow-region and shock-interaction heating. A review of heat protection methods follows, including the influence of mass addition on laminar and turbulent boundary layers. Next is a discussion of finite-difference computer codes and a comparison of some results from these codes. An extensive list of references is also provided from sources such as the various AIAA journals and NASA reports which are available in the open literature.

World Energy Projection System Plus Model Documentation: Greenhouse Gases Module

EIA Publications

2011-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Greenhouse Gases Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: Natural Gas Module

EIA Publications

2011-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) Natural Gas Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: District Heat Module

EIA Publications

2017-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) District Heat Model. It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

World Energy Projection System Plus Model Documentation: Industrial Module

EIA Publications

2016-01-01

This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) World Industrial Model (WIM). It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

RADTRAD: A simplified model for RADionuclide Transport and Removal And Dose estimation

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

Humphreys, S.L.; Miller, L.A.; Monroe, D.K.

1998-04-01

This report documents the RADTRAD computer code developed for the U.S. Nuclear Regulatory Commission (NRC) Office of Nuclear Reactor Regulation (NRR) to estimate transport and removal of radionuclides and dose at selected receptors. The document includes a users` guide to the code, a description of the technical basis for the code, the quality assurance and code acceptance testing documentation, and a programmers` guide. The RADTRAD code can be used to estimate the containment release using either the NRC TID-14844 or NUREG-1465 source terms and assumptions, or a user-specified table. In addition, the code can account for a reduction in themore » quantity of radioactive material due to containment sprays, natural deposition, filters, and other natural and engineered safety features. The RADTRAD code uses a combination of tables and/or numerical models of source term reduction phenomena to determine the time-dependent dose at user-specified locations for a given accident scenario. The code system also provides the inventory, decay chain, and dose conversion factor tables needed for the dose calculation. The RADTRAD code can be used to assess occupational radiation exposures, typically in the control room; to estimate site boundary doses; and to estimate dose attenuation due to modification of a facility or accident sequence.« less

Reducing statistical uncertainties in simulated organ doses of phantoms immersed in water

DOE PAGES

Hiller, Mauritius M.; Veinot, Kenneth G.; Easterly, Clay E.; ...

2016-08-13

In this study, methods are addressed to reduce the computational time to compute organ-dose rate coefficients using Monte Carlo techniques. Several variance reduction techniques are compared including the reciprocity method, importance sampling, weight windows and the use of the ADVANTG software package. For low-energy photons, the runtime was reduced by a factor of 10 5 when using the reciprocity method for kerma computation for immersion of a phantom in contaminated water. This is particularly significant since impractically long simulation times are required to achieve reasonable statistical uncertainties in organ dose for low-energy photons in this source medium and geometry. Althoughmore » the MCNP Monte Carlo code is used in this paper, the reciprocity technique can be used equally well with other Monte Carlo codes.« less

Prediction of Turbulence-Generated Noise in Unheated Jets. Part 2; JeNo Users' Manual (Version 1.0)

NASA Technical Reports Server (NTRS)

Khavaran, Abbas; Wolter, John D.; Koch, L. Danielle

2009-01-01

JeNo (Version 1.0) is a Fortran90 computer code that calculates the far-field sound spectral density produced by axisymmetric, unheated jets at a user specified observer location and frequency range. The user must provide a structured computational grid and a mean flow solution from a Reynolds-Averaged Navier Stokes (RANS) code as input. Turbulence kinetic energy and its dissipation rate from a k-epsilon or k-omega turbulence model must also be provided. JeNo is a research code, and as such, its development is ongoing. The goal is to create a code that is able to accurately compute far-field sound pressure levels for jets at all observer angles and all operating conditions. In order to achieve this goal, current theories must be combined with the best practices in numerical modeling, all of which must be validated by experiment. Since the acoustic predictions from JeNo are based on the mean flow solutions from a RANS code, quality predictions depend on accurate aerodynamic input.This is why acoustic source modeling, turbulence modeling, together with the development of advanced measurement systems are the leading areas of research in jet noise research at NASA Glenn Research Center.

Smart photonic networks and computer security for image data

NASA Astrophysics Data System (ADS)

Campello, Jorge; Gill, John T.; Morf, Martin; Flynn, Michael J.

1998-02-01

Work reported here is part of a larger project on 'Smart Photonic Networks and Computer Security for Image Data', studying the interactions of coding and security, switching architecture simulations, and basic technologies. Coding and security: coding methods that are appropriate for data security in data fusion networks were investigated. These networks have several characteristics that distinguish them form other currently employed networks, such as Ethernet LANs or the Internet. The most significant characteristics are very high maximum data rates; predominance of image data; narrowcasting - transmission of data form one source to a designated set of receivers; data fusion - combining related data from several sources; simple sensor nodes with limited buffering. These characteristics affect both the lower level network design and the higher level coding methods.Data security encompasses privacy, integrity, reliability, and availability. Privacy, integrity, and reliability can be provided through encryption and coding for error detection and correction. Availability is primarily a network issue; network nodes must be protected against failure or routed around in the case of failure. One of the more promising techniques is the use of 'secret sharing'. We consider this method as a special case of our new space-time code diversity based algorithms for secure communication. These algorithms enable us to exploit parallelism and scalable multiplexing schemes to build photonic network architectures. A number of very high-speed switching and routing architectures and their relationships with very high performance processor architectures were studied. Indications are that routers for very high speed photonic networks can be designed using the very robust and distributed TCP/IP protocol, if suitable processor architecture support is available.

Building Automatic Grading Tools for Basic of Programming Lab in an Academic Institution

NASA Astrophysics Data System (ADS)

Harimurti, Rina; Iwan Nurhidayat, Andi; Asmunin

2018-04-01

The skills of computer programming is a core competency that must be mastered by students majoring in computer sciences. The best way to improve this skill is through the practice of writing many programs to solve various problems from simple to complex. It takes hard work and a long time to check and evaluate the results of student labs one by one, especially if the number of students a lot. Based on these constrain, web proposes Automatic Grading Tools (AGT), the application that can evaluate and deeply check the source code in C, C++. The application architecture consists of students, web-based applications, compilers, and operating systems. Automatic Grading Tools (AGT) is implemented MVC Architecture and using open source software, such as laravel framework version 5.4, PostgreSQL 9.6, Bootstrap 3.3.7, and jquery library. Automatic Grading Tools has also been tested for real problems by submitting source code in C/C++ language and then compiling. The test results show that the AGT application has been running well.

A new software for deformation source optimization, the Bayesian Earthquake Analysis Tool (BEAT)

NASA Astrophysics Data System (ADS)

Vasyura-Bathke, H.; Dutta, R.; Jonsson, S.; Mai, P. M.

2017-12-01

Modern studies of crustal deformation and the related source estimation, including magmatic and tectonic sources, increasingly use non-linear optimization strategies to estimate geometric and/or kinematic source parameters and often consider both jointly, geodetic and seismic data. Bayesian inference is increasingly being used for estimating posterior distributions of deformation source model parameters, given measured/estimated/assumed data and model uncertainties. For instance, some studies consider uncertainties of a layered medium and propagate these into source parameter uncertainties, while others use informative priors to reduce the model parameter space. In addition, innovative sampling algorithms have been developed to efficiently explore the high-dimensional parameter spaces. Compared to earlier studies, these improvements have resulted in overall more robust source model parameter estimates that include uncertainties. However, the computational burden of these methods is high and estimation codes are rarely made available along with the published results. Even if the codes are accessible, it is usually challenging to assemble them into a single optimization framework as they are typically coded in different programing languages. Therefore, further progress and future applications of these methods/codes are hampered, while reproducibility and validation of results has become essentially impossible. In the spirit of providing open-access and modular codes to facilitate progress and reproducible research in deformation source estimations, we undertook the effort of developing BEAT, a python package that comprises all the above-mentioned features in one single programing environment. The package builds on the pyrocko seismological toolbox (www.pyrocko.org), and uses the pymc3 module for Bayesian statistical model fitting. BEAT is an open-source package (https://github.com/hvasbath/beat), and we encourage and solicit contributions to the project. Here, we present our strategy for developing BEAT and show application examples; especially the effect of including the model prediction uncertainty of the velocity model in following source optimizations: full moment tensor, Mogi source, moderate strike-slip earth-quake.

HAL/S-360 compiler test activity report

NASA Technical Reports Server (NTRS)

Helmers, C. T.

1974-01-01

The levels of testing employed in verifying the HAL/S-360 compiler were as follows: (1) typical applications program case testing; (2) functional testing of the compiler system and its generated code; and (3) machine oriented testing of compiler implementation on operational computers. Details of the initial test plan and subsequent adaptation are reported, along with complete test results for each phase which examined the production of object codes for every possible source statement.

The Complexity Analysis Tool

DTIC Science & Technology

1988-10-01

overview of the complexity analysis tool ( CAT ), an automated tool which will analyze mission critical computer resources (MCCR) software. CAT is based...84 MAR UNCLASSIFIED SECURITY CLASSIFICATION OF THIS PAGE 19. ABSTRACT: (cont) CAT automates the metric for BASIC (HP-71), ATLAS (EQUATE), Ada (subset...UNIX 5.2). CAT analyzes source code and computes complexity on a module basis. CAT also generates graphic representations of the logic flow paths and

Host computer software specifications for a zero-g payload manhandling simulator

NASA Technical Reports Server (NTRS)

Wilson, S. W.

1986-01-01

The HP PASCAL source code was developed for the Mission Planning and Analysis Division (MPAD) of NASA/JSC, and takes the place of detailed flow charts defining the host computer software specifications for MANHANDLE, a digital/graphical simulator that can be used to analyze the dynamics of onorbit (zero-g) payload manhandling operations. Input and output data for representative test cases are contained.

NPTFit: A Code Package for Non-Poissonian Template Fitting

NASA Astrophysics Data System (ADS)

Mishra-Sharma, Siddharth; Rodd, Nicholas L.; Safdi, Benjamin R.

2017-06-01

We present NPTFit, an open-source code package, written in Python and Cython, for performing non-Poissonian template fits (NPTFs). The NPTF is a recently developed statistical procedure for characterizing the contribution of unresolved point sources (PSs) to astrophysical data sets. The NPTF was first applied to Fermi gamma-ray data to provide evidence that the excess of ˜GeV gamma-rays observed in the inner regions of the Milky Way likely arises from a population of sub-threshold point sources, and the NPTF has since found additional applications studying sub-threshold extragalactic sources at high Galactic latitudes. The NPTF generalizes traditional astrophysical template fits to allow for the ability to search for populations of unresolved PSs that may follow a given spatial distribution. NPTFit builds upon the framework of the fluctuation analyses developed in X-ray astronomy, thus it likely has applications beyond those demonstrated with gamma-ray data. The NPTFit package utilizes novel computational methods to perform the NPTF efficiently. The code is available at http://github.com/bsafdi/NPTFit and up-to-date and extensive documentation may be found at http://nptfit.readthedocs.io.

An Open Source Rapid Computer Aided Control System Design Toolchain Using Scilab, Scicos and RTAI Linux

NASA Astrophysics Data System (ADS)

Bouchpan-Lerust-Juéry, L.

2007-08-01

Current and next generation on-board computer systems tend to implement real-time embedded control applications (e.g. Attitude and Orbit Control Subsystem (AOCS), Packet Utililization Standard (PUS), spacecraft autonomy . . . ) which must meet high standards of Reliability and Predictability as well as Safety. All these requirements require a considerable amount of effort and cost for Space Sofware Industry. This paper, in a first part, presents a free Open Source integrated solution to develop RTAI applications from analysis, design, simulation and direct implementation using code generation based on Open Source and in its second part summarises this suggested approach, its results and the conclusion for further work.

ProteoCloud: a full-featured open source proteomics cloud computing pipeline.

PubMed

Muth, Thilo; Peters, Julian; Blackburn, Jonathan; Rapp, Erdmann; Martens, Lennart

2013-08-02

We here present the ProteoCloud pipeline, a freely available, full-featured cloud-based platform to perform computationally intensive, exhaustive searches in a cloud environment using five different peptide identification algorithms. ProteoCloud is entirely open source, and is built around an easy to use and cross-platform software client with a rich graphical user interface. This client allows full control of the number of cloud instances to initiate and of the spectra to assign for identification. It also enables the user to track progress, and to visualize and interpret the results in detail. Source code, binaries and documentation are all available at http://proteocloud.googlecode.com. Copyright © 2012 Elsevier B.V. All rights reserved.

Menu-driven cloud computing and resource sharing for R and Bioconductor.

PubMed

Bolouri, Hamid; Dulepet, Rajiv; Angerman, Michael

2011-08-15

We report CRdata.org, a cloud-based, free, open-source web server for running analyses and sharing data and R scripts with others. In addition to using the free, public service, CRdata users can launch their own private Amazon Elastic Computing Cloud (EC2) nodes and store private data and scripts on Amazon's Simple Storage Service (S3) with user-controlled access rights. All CRdata services are provided via point-and-click menus. CRdata is open-source and free under the permissive MIT License (opensource.org/licenses/mit-license.php). The source code is in Ruby (ruby-lang.org/en/) and available at: github.com/seerdata/crdata. hbolouri@fhcrc.org.

FORTRAN Automated Code Evaluation System (faces) system documentation, version 2, mod 0. [error detection codes/user manuals (computer programs)

NASA Technical Reports Server (NTRS)

1975-01-01

A system is presented which processes FORTRAN based software systems to surface potential problems before they become execution malfunctions. The system complements the diagnostic capabilities of compilers, loaders, and execution monitors rather than duplicating these functions. Also, it emphasizes frequent sources of FORTRAN problems which require inordinate manual effort to identify. The principle value of the system is extracting small sections of unusual code from the bulk of normal sequences. Code structures likely to cause immediate or future problems are brought to the user's attention. These messages stimulate timely corrective action of solid errors and promote identification of 'tricky' code. Corrective action may require recoding or simply extending software documentation to explain the unusual technique.

RADSOURCE. Volume 1, Part 1, A scaling factor prediction computer program technical manual and code validation: Final report

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

Vance, J.N.; Holderness, J.H.; James, D.W.

1992-12-01

Waste stream scaling factors based on sampling programs are vulnerable to one or more of the following factors: sample representativeness, analytic accuracy, and measurement sensitivity. As an alternative to sample analyses or as a verification of the sampling results, this project proposes the use of the RADSOURCE code, which accounts for the release of fuel-source radionuclides. Once the release rates of these nuclides from fuel are known, the code develops scaling factors for waste streams based on easily measured Cobalt-60 (Co-60) and Cesium-137 (Cs-137). The project team developed mathematical models to account for the appearance rate of 10CFR61 radionuclides inmore » reactor coolant. They based these models on the chemistry and nuclear physics of the radionuclides involved. Next, they incorporated the models into a computer code that calculates plant waste stream scaling factors based on reactor coolant gamma- isotopic data. Finally, the team performed special sampling at 17 reactors to validate the models in the RADSOURCE code.« less

ORBIT: A Code for Collective Beam Dynamics in High-Intensity Rings

NASA Astrophysics Data System (ADS)

Holmes, J. A.; Danilov, V.; Galambos, J.; Shishlo, A.; Cousineau, S.; Chou, W.; Michelotti, L.; Ostiguy, J.-F.; Wei, J.

2002-12-01

We are developing a computer code, ORBIT, specifically for beam dynamics calculations in high-intensity rings. Our approach allows detailed simulation of realistic accelerator problems. ORBIT is a particle-in-cell tracking code that transports bunches of interacting particles through a series of nodes representing elements, effects, or diagnostics that occur in the accelerator lattice. At present, ORBIT contains detailed models for strip-foil injection, including painting and foil scattering; rf focusing and acceleration; transport through various magnetic elements; longitudinal and transverse impedances; longitudinal, transverse, and three-dimensional space charge forces; collimation and limiting apertures; and the calculation of many useful diagnostic quantities. ORBIT is an object-oriented code, written in C++ and utilizing a scripting interface for the convenience of the user. Ongoing improvements include the addition of a library of accelerator maps, BEAMLINE/MXYZPTLK; the introduction of a treatment of magnet errors and fringe fields; the conversion of the scripting interface to the standard scripting language, Python; and the parallelization of the computations using MPI. The ORBIT code is an open source, powerful, and convenient tool for studying beam dynamics in high-intensity rings.

Parallel Higher-order Finite Element Method for Accurate Field Computations in Wakefield and PIC Simulations

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

Candel, A.; Kabel, A.; Lee, L.

Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell)more » approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.« less

Automatic translation of MPI source into a latency-tolerant, data-driven form

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

Nguyen, Tan; Cicotti, Pietro; Bylaska, Eric

Hiding communication behind useful computation is an important performance programming technique but remains an inscrutable programming exercise even for the expert. We present Bamboo, a code transformation framework that can realize communication overlap in applications written in MPI without the need to intrusively modify the source code. We reformulate MPI source into a task dependency graph representation, which partially orders the tasks, enabling the program to execute in a data-driven fashion under the control of an external runtime system. Experimental results demonstrate that Bamboo significantly reduces communication delays while requiring only modest amounts of programmer annotation for a variety ofmore » applications and platforms, including those employing co-processors and accelerators. Moreover, Bamboo’s performance meets or exceeds that of labor-intensive hand coding. As a result, the translator is more than a means of hiding communication costs automatically; it demonstrates the utility of semantic level optimization against a well-known library.« less

Automatic translation of MPI source into a latency-tolerant, data-driven form

DOE PAGES

Nguyen, Tan; Cicotti, Pietro; Bylaska, Eric; ...

2017-03-06

Hiding communication behind useful computation is an important performance programming technique but remains an inscrutable programming exercise even for the expert. We present Bamboo, a code transformation framework that can realize communication overlap in applications written in MPI without the need to intrusively modify the source code. We reformulate MPI source into a task dependency graph representation, which partially orders the tasks, enabling the program to execute in a data-driven fashion under the control of an external runtime system. Experimental results demonstrate that Bamboo significantly reduces communication delays while requiring only modest amounts of programmer annotation for a variety ofmore » applications and platforms, including those employing co-processors and accelerators. Moreover, Bamboo’s performance meets or exceeds that of labor-intensive hand coding. As a result, the translator is more than a means of hiding communication costs automatically; it demonstrates the utility of semantic level optimization against a well-known library.« less

Automatic translation of MPI source into a latency-tolerant, data-driven form

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

Nguyen, Tan; Cicotti, Pietro; Bylaska, Eric

Hiding communication behind useful computation is an important performance programming technique but remains an inscrutable programming exercise even for the expert. We present Bamboo, a code transformation framework that can realize communication overlap in applications written in MPI without the need to intrusively modify the source code. Bamboo reformulates MPI source into the form of a task dependency graph that expresses a partial ordering among tasks, enabling the program to execute in a data-driven fashion under the control of an external runtime system. Experimental results demonstrate that Bamboo significantly reduces communication delays while requiring only modest amounts of programmer annotationmore » for a variety of applications and platforms, including those employing co-processors and accelerators. Moreover, Bamboo's performance meets or exceeds that of labor-intensive hand coding. The translator is more than a means of hiding communication costs automatically; it demonstrates the utility of semantic level optimization against a wellknown library.« less

RMG An Open Source Electronic Structure Code for Multi-Petaflops Calculations

NASA Astrophysics Data System (ADS)

Briggs, Emil; Lu, Wenchang; Hodak, Miroslav; Bernholc, Jerzy

RMG (Real-space Multigrid) is an open source, density functional theory code for quantum simulations of materials. It solves the Kohn-Sham equations on real-space grids, which allows for natural parallelization via domain decomposition. Either subspace or Davidson diagonalization, coupled with multigrid methods, are used to accelerate convergence. RMG is a cross platform open source package which has been used in the study of a wide range of systems, including semiconductors, biomolecules, and nanoscale electronic devices. It can optionally use GPU accelerators to improve performance on systems where they are available. The recently released versions (>2.0) support multiple GPU's per compute node, have improved performance and scalability, enhanced accuracy and support for additional hardware platforms. New versions of the code are regularly released at http://www.rmgdft.org. The releases include binaries for Linux, Windows and MacIntosh systems, automated builds for clusters using cmake, as well as versions adapted to the major supercomputing installations and platforms. Several recent, large-scale applications of RMG will be discussed.

WARP

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

Bergmann, Ryan M.; Rowland, Kelly L.

2017-04-12

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

JSPAM: A restricted three-body code for simulating interacting galaxies

NASA Astrophysics Data System (ADS)

Wallin, J. F.; Holincheck, A. J.; Harvey, A.

2016-07-01

Restricted three-body codes have a proven ability to recreate much of the disturbed morphology of actual interacting galaxies. As more sophisticated n-body models were developed and computer speed increased, restricted three-body codes fell out of favor. However, their supporting role for performing wide searches of parameter space when fitting orbits to real systems demonstrates a continuing need for their use. Here we present the model and algorithm used in the JSPAM code. A precursor of this code was originally described in 1990, and was called SPAM. We have recently updated the software with an alternate potential and a treatment of dynamical friction to more closely mimic the results from n-body tree codes. The code is released publicly for use under the terms of the Academic Free License ("AFL") v. 3.0 and has been added to the Astrophysics Source Code Library.

Coal conversion systems design and process modeling. Volume 2: Installation of MPPM on the Signal 9 computer

NASA Technical Reports Server (NTRS)

1981-01-01

Relevant differences between the MPPM resident IBM 370computer and the NASA Sigma 9 computer are described as well as the MPPM system itself and its development. Problems encountered and solutions used to overcome these difficulties during installation of the MPPM system at MSFC are discussed. Remaining work on the installation effort is summarized. The relevant hardware features incorporated in the program are described and their implications on the transportability of the MPPM source code are examined.

Text Exchange System

NASA Technical Reports Server (NTRS)

Snyder, W. V.; Hanson, R. J.

1986-01-01

Text Exchange System (TES) exchanges and maintains organized textual information including source code, documentation, data, and listings. System consists of two computer programs and definition of format for information storage. Comprehensive program used to create, read, and maintain TES files. TES developed to meet three goals: First, easy and efficient exchange of programs and other textual data between similar and dissimilar computer systems via magnetic tape. Second, provide transportable management system for textual information. Third, provide common user interface, over wide variety of computing systems, for all activities associated with text exchange.

TIME-DEPENDENT MULTI-GROUP MULTI-DIMENSIONAL RELATIVISTIC RADIATIVE TRANSFER CODE BASED ON SPHERICAL HARMONIC DISCRETE ORDINATE METHOD

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

Tominaga, Nozomu; Shibata, Sanshiro; Blinnikov, Sergei I., E-mail: tominaga@konan-u.ac.jp, E-mail: sshibata@post.kek.jp, E-mail: Sergei.Blinnikov@itep.ru

We develop a time-dependent, multi-group, multi-dimensional relativistic radiative transfer code, which is required to numerically investigate radiation from relativistic fluids that are involved in, e.g., gamma-ray bursts and active galactic nuclei. The code is based on the spherical harmonic discrete ordinate method (SHDOM) which evaluates a source function including anisotropic scattering in spherical harmonics and implicitly solves the static radiative transfer equation with ray tracing in discrete ordinates. We implement treatments of time dependence, multi-frequency bins, Lorentz transformation, and elastic Thomson and inelastic Compton scattering to the publicly available SHDOM code. Our code adopts a mixed-frame approach; the source functionmore » is evaluated in the comoving frame, whereas the radiative transfer equation is solved in the laboratory frame. This implementation is validated using various test problems and comparisons with the results from a relativistic Monte Carlo code. These validations confirm that the code correctly calculates the intensity and its evolution in the computational domain. The code enables us to obtain an Eddington tensor that relates the first and third moments of intensity (energy density and radiation pressure) and is frequently used as a closure relation in radiation hydrodynamics calculations.« less

GAPD: a GPU-accelerated atom-based polychromatic diffraction simulation code.

PubMed

E, J C; Wang, L; Chen, S; Zhang, Y Y; Luo, S N

2018-03-01

GAPD, a graphics-processing-unit (GPU)-accelerated atom-based polychromatic diffraction simulation code for direct, kinematics-based, simulations of X-ray/electron diffraction of large-scale atomic systems with mono-/polychromatic beams and arbitrary plane detector geometries, is presented. This code implements GPU parallel computation via both real- and reciprocal-space decompositions. With GAPD, direct simulations are performed of the reciprocal lattice node of ultralarge systems (∼5 billion atoms) and diffraction patterns of single-crystal and polycrystalline configurations with mono- and polychromatic X-ray beams (including synchrotron undulator sources), and validation, benchmark and application cases are presented.

Implementation and Testing of Turbulence Models for the F18-HARV Simulation

NASA Technical Reports Server (NTRS)

Yeager, Jessie C.

1998-01-01

This report presents three methods of implementing the Dryden power spectral density model for atmospheric turbulence. Included are the equations which define the three methods and computer source code written in Advanced Continuous Simulation Language to implement the equations. Time-history plots and sample statistics of simulated turbulence results from executing the code in a test program are also presented. Power spectral densities were computed for sample sequences of turbulence and are plotted for comparison with the Dryden spectra. The three model implementations were installed in a nonlinear six-degree-of-freedom simulation of the High Alpha Research Vehicle airplane. Aircraft simulation responses to turbulence generated with the three implementations are presented as plots.

Implicit and semi-implicit schemes in the Versatile Advection Code: numerical tests

NASA Astrophysics Data System (ADS)

Toth, G.; Keppens, R.; Botchev, M. A.

1998-04-01

We describe and evaluate various implicit and semi-implicit time integration schemes applied to the numerical simulation of hydrodynamical and magnetohydrodynamical problems. The schemes were implemented recently in the software package Versatile Advection Code, which uses modern shock capturing methods to solve systems of conservation laws with optional source terms. The main advantage of implicit solution strategies over explicit time integration is that the restrictive constraint on the allowed time step can be (partially) eliminated, thus the computational cost is reduced. The test problems cover one and two dimensional, steady state and time accurate computations, and the solutions contain discontinuities. For each test, we confront explicit with implicit solution strategies.

Macroeconomic Activity Module - NEMS Documentation

EIA Publications

2016-01-01

Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Macroeconomic Activity Module (MAM) used to develop the Annual Energy Outlook for 2016 (AEO2016). The report catalogues and describes the module assumptions, computations, methodology, parameter estimation techniques, and mainframe source code

AirShow 1.0 CFD Software Users' Guide

NASA Technical Reports Server (NTRS)

Mohler, Stanley R., Jr.

2005-01-01

AirShow is visualization post-processing software for Computational Fluid Dynamics (CFD). Upon reading binary PLOT3D grid and solution files into AirShow, the engineer can quickly see how hundreds of complex 3-D structured blocks are arranged and numbered. Additionally, chosen grid planes can be displayed and colored according to various aerodynamic flow quantities such as Mach number and pressure. The user may interactively rotate and translate the graphical objects using the mouse. The software source code was written in cross-platform Java, C++, and OpenGL, and runs on Unix, Linux, and Windows. The graphical user interface (GUI) was written using Java Swing. Java also provides multiple synchronized threads. The Java Native Interface (JNI) provides a bridge between the Java code and the C++ code where the PLOT3D files are read, the OpenGL graphics are rendered, and numerical calculations are performed. AirShow is easy to learn and simple to use. The source code is available for free from the NASA Technology Transfer and Partnership Office.

Time synchronized video systems

NASA Technical Reports Server (NTRS)

Burnett, Ron

1994-01-01

The idea of synchronizing multiple video recordings to some type of 'range' time has been tried to varying degrees of success in the past. Combining this requirement with existing time code standards (SMPTE) and the new innovations in desktop multimedia however, have afforded an opportunity to increase the flexibility and usefulness of such efforts without adding costs over the traditional data recording and reduction systems. The concept described can use IRIG, GPS or a battery backed internal clock as the master time source. By converting that time source to Vertical Interval Time Code or Longitudinal Time Code, both in accordance with the SMPTE standards, the user will obtain a tape that contains machine/computer readable time code suitable for use with editing equipment that is available off-the-shelf. Accuracy on playback is then determined by the playback system chosen by the user. Accuracies of +/- 2 frames are common among inexpensive systems and complete frame accuracy is more a matter of the users' budget than the capability of the recording system.

SPRAI: coupling of radiative feedback and primordial chemistry in moving mesh hydrodynamics

NASA Astrophysics Data System (ADS)

Jaura, O.; Glover, S. C. O.; Klessen, R. S.; Paardekooper, J.-P.

2018-04-01

In this paper, we introduce a new radiative transfer code SPRAI (Simplex Photon Radiation in the Arepo Implementation) based on the SIMPLEX radiation transfer method. This method, originally used only for post-processing, is now directly integrated into the AREPO code and takes advantage of its adaptive unstructured mesh. Radiated photons are transferred from the sources through the series of Voronoi gas cells within a specific solid angle. From the photon attenuation, we derive corresponding photon fluxes and ionization rates and feed them to a primordial chemistry module. This gives us a self-consistent method for studying dynamical and chemical processes caused by ionizing sources in primordial gas. Since the computational cost of the SIMPLEX method does not scale directly with the number of sources, it is convenient for studying systems such as primordial star-forming haloes that may form multiple ionizing sources.

Infrastructure for Multiphysics Software Integration in High Performance Computing-Aided Science and Engineering

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

Campbell, Michael T.; Safdari, Masoud; Kress, Jessica E.

The project described in this report constructed and exercised an innovative multiphysics coupling toolkit called the Illinois Rocstar MultiPhysics Application Coupling Toolkit (IMPACT). IMPACT is an open source, flexible, natively parallel infrastructure for coupling multiple uniphysics simulation codes into multiphysics computational systems. IMPACT works with codes written in several high-performance-computing (HPC) programming languages, and is designed from the beginning for HPC multiphysics code development. It is designed to be minimally invasive to the individual physics codes being integrated, and has few requirements on those physics codes for integration. The goal of IMPACT is to provide the support needed to enablemore » coupling existing tools together in unique and innovative ways to produce powerful new multiphysics technologies without extensive modification and rewrite of the physics packages being integrated. There are three major outcomes from this project: 1) construction, testing, application, and open-source release of the IMPACT infrastructure, 2) production of example open-source multiphysics tools using IMPACT, and 3) identification and engagement of interested organizations in the tools and applications resulting from the project. This last outcome represents the incipient development of a user community and application echosystem being built using IMPACT. Multiphysics coupling standardization can only come from organizations working together to define needs and processes that span the space of necessary multiphysics outcomes, which Illinois Rocstar plans to continue driving toward. The IMPACT system, including source code, documentation, and test problems are all now available through the public gitHUB.org system to anyone interested in multiphysics code coupling. Many of the basic documents explaining use and architecture of IMPACT are also attached as appendices to this document. Online HTML documentation is available through the gitHUB site. There are over 100 unit tests provided that run through the Illinois Rocstar Application Development (IRAD) lightweight testing infrastructure that is also supplied along with IMPACT. The package as a whole provides an excellent base for developing high-quality multiphysics applications using modern software development practices. To facilitate understanding how to utilize IMPACT effectively, two multiphysics systems have been developed and are available open-source through gitHUB. The simpler of the two systems, named ElmerFoamFSI in the repository, is a multiphysics, fluid-structure-interaction (FSI) coupling of the solid mechanics package Elmer with a fluid dynamics module from OpenFOAM. This coupling illustrates how to combine software packages that are unrelated by either author or architecture and combine them into a robust, parallel multiphysics system. A more complex multiphysics tool is the Illinois Rocstar Rocstar Multiphysics code that was rebuilt during the project around IMPACT. Rocstar Multiphysics was already an HPC multiphysics tool, but now that it has been rearchitected around IMPACT, it can be readily expanded to capture new and different physics in the future. In fact, during this project, the Elmer and OpenFOAM tools were also coupled into Rocstar Multiphysics and demonstrated. The full Rocstar Multiphysics codebase is also available on gitHUB, and licensed for any organization to use as they wish. Finally, the new IMPACT product is already being used in several multiphysics code coupling projects for the Air Force, NASA and the Missile Defense Agency, and initial work on expansion of the IMPACT-enabled Rocstar Multiphysics has begun in support of a commercial company. These initiatives promise to expand the interest and reach of IMPACT and Rocstar Multiphysics, ultimately leading to the envisioned standardization and consortium of users that was one of the goals of this project.« less

Application of Modular Building Block Databus to Air Force Systems

DTIC Science & Technology

1988-06-01

City, State, and ZIP Code) Electronic Systems Division, AFSC Hanscom AFB, MA 01731-5000 10. SOURCE OF FUNDING NUMBERS PROGRAM ELEMENT NO...implement remote monitoring and control of the modules. Computer assistance is available for these processes. Cabinets are independent of the shelter...3 fc to the red databus. Located between the two databuses is the computer sup- porting the technical control position (figure 4) as well as

Analysis of Disaster Preparedness Planning Measures in DoD Computer Facilities

DTIC Science & Technology

1993-09-01

city, stae, aod ZP code) 10 Source of Funding Numbers SProgram Element No lProject No ITask No lWork Unit Accesion I 11 Title include security...Computer Disaster Recovery .... 13 a. PC and LAN Lessons Learned . . ..... 13 2. Distributed Architectures . . . .. . 14 3. Backups...amount of expense, but no client problems." (Leeke, 1993, p. 8) 2. Distributed Architectures The majority of operations that were disrupted by the

Computational mechanics analysis tools for parallel-vector supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Baddourah, Majdi; Qin, Jiangning

1993-01-01

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigensolution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization search analysis and domain decomposition. The source code for many of these algorithms is available.

TU-AB-BRC-10: Modeling of Radiotherapy Linac Source Terms Using ARCHER Monte Carlo Code: Performance Comparison of GPU and MIC Computing Accelerators

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

Liu, T; Lin, H; Xu, X

Purpose: (1) To perform phase space (PS) based source modeling for Tomotherapy and Varian TrueBeam 6 MV Linacs, (2) to examine the accuracy and performance of the ARCHER Monte Carlo code on a heterogeneous computing platform with Many Integrated Core coprocessors (MIC, aka Xeon Phi) and GPUs, and (3) to explore the software micro-optimization methods. Methods: The patient-specific source of Tomotherapy and Varian TrueBeam Linacs was modeled using the PS approach. For the helical Tomotherapy case, the PS data were calculated in our previous study (Su et al. 2014 41(7) Medical Physics). For the single-view Varian TrueBeam case, we analyticallymore » derived them from the raw patient-independent PS data in IAEA’s database, partial geometry information of the jaw and MLC as well as the fluence map. The phantom was generated from DICOM images. The Monte Carlo simulation was performed by ARCHER-MIC and GPU codes, which were benchmarked against a modified parallel DPM code. Software micro-optimization was systematically conducted, and was focused on SIMD vectorization of tight for-loops and data prefetch, with the ultimate goal of increasing 512-bit register utilization and reducing memory access latency. Results: Dose calculation was performed for two clinical cases, a Tomotherapy-based prostate cancer treatment and a TrueBeam-based left breast treatment. ARCHER was verified against the DPM code. The statistical uncertainty of the dose to the PTV was less than 1%. Using double-precision, the total wall time of the multithreaded CPU code on a X5650 CPU was 339 seconds for the Tomotherapy case and 131 seconds for the TrueBeam, while on 3 5110P MICs it was reduced to 79 and 59 seconds, respectively. The single-precision GPU code on a K40 GPU took 45 seconds for the Tomotherapy dose calculation. Conclusion: We have extended ARCHER, the MIC and GPU-based Monte Carlo dose engine to Tomotherapy and Truebeam dose calculations.« less

AN OPEN-SOURCE NEUTRINO RADIATION HYDRODYNAMICS CODE FOR CORE-COLLAPSE SUPERNOVAE

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

O’Connor, Evan, E-mail: evanoconnor@ncsu.edu; CITA, Canadian Institute for Theoretical Astrophysics, Toronto, M5S 3H8

2015-08-15

We present an open-source update to the spherically symmetric, general-relativistic hydrodynamics, core-collapse supernova (CCSN) code GR1D. The source code is available at http://www.GR1Dcode.org. We extend its capabilities to include a general-relativistic treatment of neutrino transport based on the moment formalisms of Shibata et al. and Cardall et al. We pay special attention to implementing and testing numerical methods and approximations that lessen the computational demand of the transport scheme by removing the need to invert large matrices. This is especially important for the implementation and development of moment-like transport methods in two and three dimensions. A critical component of neutrinomore » transport calculations is the neutrino–matter interaction coefficients that describe the production, absorption, scattering, and annihilation of neutrinos. In this article we also describe our open-source neutrino interaction library NuLib (available at http://www.nulib.org). We believe that an open-source approach to describing these interactions is one of the major steps needed to progress toward robust models of CCSNe and robust predictions of the neutrino signal. We show, via comparisons to full Boltzmann neutrino-transport simulations of CCSNe, that our neutrino transport code performs remarkably well. Furthermore, we show that the methods and approximations we employ to increase efficiency do not decrease the fidelity of our results. We also test the ability of our general-relativistic transport code to model failed CCSNe by evolving a 40-solar-mass progenitor to the onset of collapse to a black hole.« less

Upwind MacCormack Euler solver with non-equilibrium chemistry

NASA Technical Reports Server (NTRS)

Sherer, Scott E.; Scott, James N.

1993-01-01

A computer code, designated UMPIRE, is currently under development to solve the Euler equations in two dimensions with non-equilibrium chemistry. UMPIRE employs an explicit MacCormack algorithm with dissipation introduced via Roe's flux-difference split upwind method. The code also has the capability to employ a point-implicit methodology for flows where stiffness is introduced through the chemical source term. A technique consisting of diagonal sweeps across the computational domain from each corner is presented, which is used to reduce storage and execution requirements. Results depicting one dimensional shock tube flow for both calorically perfect gas and thermally perfect, dissociating nitrogen are presented to verify current capabilities of the program. Also, computational results from a chemical reactor vessel with no fluid dynamic effects are presented to check the chemistry capability and to verify the point implicit strategy.

Cloudy's Journey from FORTRAN to C, Why and How

NASA Astrophysics Data System (ADS)

Ferland, G. J.

Cloudy is a large-scale plasma simulation code that is widely used across the astronomical community as an aid in the interpretation of spectroscopic data. The cover of the ADAS VI book featured predictions of the code. The FORTRAN 77 source code has always been freely available on the Internet, contributing to its widespread use. The coming of PCs and Linux has fundamentally changed the computing environment. Modern Fortran compilers (F90 and F95) are not freely available. A common-use code must be written in either FORTRAN 77 or C to be Open Source/GNU/Linux friendly. F77 has serious drawbacks - modern language constructs cannot be used, students do not have skills in this language, and it does not contribute to their future employability. It became clear that the code would have to be ported to C to have a viable future. I describe the approach I used to convert Cloudy from FORTRAN 77 with MILSPEC extensions to ANSI/ISO 89 C. Cloudy is now openly available as a C code, and will evolve to C++ as gcc and standard C++ mature. Cloudy looks to a bright future with a modern language.

OFF, Open source Finite volume Fluid dynamics code: A free, high-order solver based on parallel, modular, object-oriented Fortran API

NASA Astrophysics Data System (ADS)

Zaghi, S.

2014-07-01

OFF, an open source (free software) code for performing fluid dynamics simulations, is presented. The aim of OFF is to solve, numerically, the unsteady (and steady) compressible Navier-Stokes equations of fluid dynamics by means of finite volume techniques: the research background is mainly focused on high-order (WENO) schemes for multi-fluids, multi-phase flows over complex geometries. To this purpose a highly modular, object-oriented application program interface (API) has been developed. In particular, the concepts of data encapsulation and inheritance available within Fortran language (from standard 2003) have been stressed in order to represent each fluid dynamics "entity" (e.g. the conservative variables of a finite volume, its geometry, etc…) by a single object so that a large variety of computational libraries can be easily (and efficiently) developed upon these objects. The main features of OFF can be summarized as follows: Programming LanguageOFF is written in standard (compliant) Fortran 2003; its design is highly modular in order to enhance simplicity of use and maintenance without compromising the efficiency; Parallel Frameworks Supported the development of OFF has been also targeted to maximize the computational efficiency: the code is designed to run on shared-memory multi-cores workstations and distributed-memory clusters of shared-memory nodes (supercomputers); the code's parallelization is based on Open Multiprocessing (OpenMP) and Message Passing Interface (MPI) paradigms; Usability, Maintenance and Enhancement in order to improve the usability, maintenance and enhancement of the code also the documentation has been carefully taken into account; the documentation is built upon comprehensive comments placed directly into the source files (no external documentation files needed): these comments are parsed by means of doxygen free software producing high quality html and latex documentation pages; the distributed versioning system referred as git has been adopted in order to facilitate the collaborative maintenance and improvement of the code; CopyrightsOFF is a free software that anyone can use, copy, distribute, study, change and improve under the GNU Public License version 3. The present paper is a manifesto of OFF code and presents the currently implemented features and ongoing developments. This work is focused on the computational techniques adopted and a detailed description of the main API characteristics is reported. OFF capabilities are demonstrated by means of one and two dimensional examples and a three dimensional real application.

LB3D: A parallel implementation of the Lattice-Boltzmann method for simulation of interacting amphiphilic fluids

NASA Astrophysics Data System (ADS)

Schmieschek, S.; Shamardin, L.; Frijters, S.; Krüger, T.; Schiller, U. D.; Harting, J.; Coveney, P. V.

2017-08-01

We introduce the lattice-Boltzmann code LB3D, version 7.1. Building on a parallel program and supporting tools which have enabled research utilising high performance computing resources for nearly two decades, LB3D version 7 provides a subset of the research code functionality as an open source project. Here, we describe the theoretical basis of the algorithm as well as computational aspects of the implementation. The software package is validated against simulations of meso-phases resulting from self-assembly in ternary fluid mixtures comprising immiscible and amphiphilic components such as water-oil-surfactant systems. The impact of the surfactant species on the dynamics of spinodal decomposition are tested and quantitative measurement of the permeability of a body centred cubic (BCC) model porous medium for a simple binary mixture is described. Single-core performance and scaling behaviour of the code are reported for simulations on current supercomputer architectures.

Axial deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator Basis

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

Perez, R. Navarro; Schunck, N.; Lasseri, R.

2017-03-09

HFBTHO is a physics computer code that is used to model the structure of the nucleus. It is an implementation of the nuclear energy Density Functional Theory (DFT), where the energy of the nucleus is obtained by integration over space of some phenomenological energy density, which is itself a functional of the neutron and proton densities. In HFBTHO, the energy density derives either from the zero-range Dkyrme or the finite-range Gogny effective two-body interaction between nucleons. Nuclear superfluidity is treated at the Hartree-Fock-Bogoliubov (HFB) approximation, and axial-symmetry of the nuclear shape is assumed. This version is the 3rd release ofmore » the program; the two previous versions were published in Computer Physics Communications [1,2]. The previous version was released at LLNL under GPL 3 Open Source License and was given release code LLNL-CODE-573953.« less

Verification, Validation, and Solution Quality in Computational Physics: CFD Methods Applied to Ice Sheet Physics

NASA Technical Reports Server (NTRS)

Thompson, David E.

2005-01-01

Procedures and methods for veri.cation of coding algebra and for validations of models and calculations used in the aerospace computational fluid dynamics (CFD) community would be ef.cacious if used by the glacier dynamics modeling community. This paper presents some of those methods, and how they might be applied to uncertainty management supporting code veri.cation and model validation for glacier dynamics. The similarities and differences between their use in CFD analysis and the proposed application of these methods to glacier modeling are discussed. After establishing sources of uncertainty and methods for code veri.cation, the paper looks at a representative sampling of veri.cation and validation efforts that are underway in the glacier modeling community, and establishes a context for these within an overall solution quality assessment. Finally, a vision of a new information architecture and interactive scienti.c interface is introduced and advocated.

ANL/RBC: A computer code for the analysis of Rankine bottoming cycles, including system cost evaluation and off-design performance

NASA Technical Reports Server (NTRS)

Mclennan, G. A.

1986-01-01

This report describes, and is a User's Manual for, a computer code (ANL/RBC) which calculates cycle performance for Rankine bottoming cycles extracting heat from a specified source gas stream. The code calculates cycle power and efficiency and the sizes for the heat exchangers, using tabular input of the properties of the cycle working fluid. An option is provided to calculate the costs of system components from user defined input cost functions. These cost functions may be defined in equation form or by numerical tabular data. A variety of functional forms have been included for these functions and they may be combined to create very general cost functions. An optional calculation mode can be used to determine the off-design performance of a system when operated away from the design-point, using the heat exchanger areas calculated for the design-point.

MzJava: An open source library for mass spectrometry data processing.

PubMed

Horlacher, Oliver; Nikitin, Frederic; Alocci, Davide; Mariethoz, Julien; Müller, Markus; Lisacek, Frederique

2015-11-03

Mass spectrometry (MS) is a widely used and evolving technique for the high-throughput identification of molecules in biological samples. The need for sharing and reuse of code among bioinformaticians working with MS data prompted the design and implementation of MzJava, an open-source Java Application Programming Interface (API) for MS related data processing. MzJava provides data structures and algorithms for representing and processing mass spectra and their associated biological molecules, such as metabolites, glycans and peptides. MzJava includes functionality to perform mass calculation, peak processing (e.g. centroiding, filtering, transforming), spectrum alignment and clustering, protein digestion, fragmentation of peptides and glycans as well as scoring functions for spectrum-spectrum and peptide/glycan-spectrum matches. For data import and export MzJava implements readers and writers for commonly used data formats. For many classes support for the Hadoop MapReduce (hadoop.apache.org) and Apache Spark (spark.apache.org) frameworks for cluster computing was implemented. The library has been developed applying best practices of software engineering. To ensure that MzJava contains code that is correct and easy to use the library's API was carefully designed and thoroughly tested. MzJava is an open-source project distributed under the AGPL v3.0 licence. MzJava requires Java 1.7 or higher. Binaries, source code and documentation can be downloaded from http://mzjava.expasy.org and https://bitbucket.org/sib-pig/mzjava. This article is part of a Special Issue entitled: Computational Proteomics. Copyright © 2015 Elsevier B.V. All rights reserved.

Validation of hydrogen gas stratification and mixing models

DOE PAGES

Wu, Hsingtzu; Zhao, Haihua

2015-05-26

Two validation benchmarks confirm that the BMIX++ code is capable of simulating unintended hydrogen release scenarios efficiently. The BMIX++ (UC Berkeley mechanistic MIXing code in C++) code has been developed to accurately and efficiently predict the fluid mixture distribution and heat transfer in large stratified enclosures for accident analyses and design optimizations. The BMIX++ code uses a scaling based one-dimensional method to achieve large reduction in computational effort compared to a 3-D computational fluid dynamics (CFD) simulation. Two BMIX++ benchmark models have been developed. One is for a single buoyant jet in an open space and another is for amore » large sealed enclosure with both a jet source and a vent near the floor. Both of them have been validated by comparisons with experimental data. Excellent agreements are observed. The entrainment coefficients of 0.09 and 0.08 are found to fit the experimental data for hydrogen leaks with the Froude number of 99 and 268 best, respectively. In addition, the BIX++ simulation results of the average helium concentration for an enclosure with a vent and a single jet agree with the experimental data within a margin of about 10% for jet flow rates ranging from 1.21 × 10⁻⁴ to 3.29 × 10⁻⁴ m³/s. In conclusion, computing time for each BMIX++ model with a normal desktop computer is less than 5 min.« less

Reconstruction for time-domain in vivo EPR 3D multigradient oximetric imaging--a parallel processing perspective.

PubMed

Dharmaraj, Christopher D; Thadikonda, Kishan; Fletcher, Anthony R; Doan, Phuc N; Devasahayam, Nallathamby; Matsumoto, Shingo; Johnson, Calvin A; Cook, John A; Mitchell, James B; Subramanian, Sankaran; Krishna, Murali C

2009-01-01

Three-dimensional Oximetric Electron Paramagnetic Resonance Imaging using the Single Point Imaging modality generates unpaired spin density and oxygen images that can readily distinguish between normal and tumor tissues in small animals. It is also possible with fast imaging to track the changes in tissue oxygenation in response to the oxygen content in the breathing air. However, this involves dealing with gigabytes of data for each 3D oximetric imaging experiment involving digital band pass filtering and background noise subtraction, followed by 3D Fourier reconstruction. This process is rather slow in a conventional uniprocessor system. This paper presents a parallelization framework using OpenMP runtime support and parallel MATLAB to execute such computationally intensive programs. The Intel compiler is used to develop a parallel C++ code based on OpenMP. The code is executed on four Dual-Core AMD Opteron shared memory processors, to reduce the computational burden of the filtration task significantly. The results show that the parallel code for filtration has achieved a speed up factor of 46.66 as against the equivalent serial MATLAB code. In addition, a parallel MATLAB code has been developed to perform 3D Fourier reconstruction. Speedup factors of 4.57 and 4.25 have been achieved during the reconstruction process and oximetry computation, for a data set with 23 x 23 x 23 gradient steps. The execution time has been computed for both the serial and parallel implementations using different dimensions of the data and presented for comparison. The reported system has been designed to be easily accessible even from low-cost personal computers through local internet (NIHnet). The experimental results demonstrate that the parallel computing provides a source of high computational power to obtain biophysical parameters from 3D EPR oximetric imaging, almost in real-time.

GRASP/Ada (Graphical Representations of Algorithms, Structures, and Processes for Ada): The development of a program analysis environment for Ada. Reverse engineering tools for Ada, task 1, phase 2

NASA Technical Reports Server (NTRS)

Cross, James H., II

1990-01-01

The study, formulation, and generation of structures for Ada (GRASP/Ada) are discussed in this second phase report of a three phase effort. Various graphical representations that can be extracted or generated from source code are described and categorized with focus on reverse engineering. The overall goal is to provide the foundation for a CASE (computer-aided software design) environment in which reverse engineering and forward engineering (development) are tightly coupled. Emphasis is on a subset of architectural diagrams that can be generated automatically from source code with the control structure diagram (CSD) included for completeness.

Nuclear Resonance Fluorescence for Materials Assay

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

Quiter, Brian; Ludewigt, Bernhard; Mozin, Vladimir

This paper discusses the use of nuclear resonance fluorescence (NRF) techniques for the isotopic and quantitative assaying of radioactive material. Potential applications include age-dating of an unknown radioactive source, pre- and post-detonation nuclear forensics, and safeguards for nuclear fuel cycles Examples of age-dating a strong radioactive source and assaying a spent fuel pin are discussed. The modeling work has ben performed with the Monte Carlo radiation transport computer code MCNPX, and the capability to simulate NRF has bee added to the code. Discussed are the limitations in MCNPX's photon transport physics for accurately describing photon scattering processes that are importantmore » contributions to the background and impact the applicability of the NRF assay technique.« less

Full 3D visualization tool-kit for Monte Carlo and deterministic transport codes

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

Frambati, S.; Frignani, M.

2012-07-01

We propose a package of tools capable of translating the geometric inputs and outputs of many Monte Carlo and deterministic radiation transport codes into open source file formats. These tools are aimed at bridging the gap between trusted, widely-used radiation analysis codes and very powerful, more recent and commonly used visualization software, thus supporting the design process and helping with shielding optimization. Three main lines of development were followed: mesh-based analysis of Monte Carlo codes, mesh-based analysis of deterministic codes and Monte Carlo surface meshing. The developed kit is considered a powerful and cost-effective tool in the computer-aided design formore » radiation transport code users of the nuclear world, and in particular in the fields of core design and radiation analysis. (authors)« less

Development of Parallel Code for the Alaska Tsunami Forecast Model

NASA Astrophysics Data System (ADS)

Bahng, B.; Knight, W. R.; Whitmore, P.

2014-12-01

The Alaska Tsunami Forecast Model (ATFM) is a numerical model used to forecast propagation and inundation of tsunamis generated by earthquakes and other means in both the Pacific and Atlantic Oceans. At the U.S. National Tsunami Warning Center (NTWC), the model is mainly used in a pre-computed fashion. That is, results for hundreds of hypothetical events are computed before alerts, and are accessed and calibrated with observations during tsunamis to immediately produce forecasts. ATFM uses the non-linear, depth-averaged, shallow-water equations of motion with multiply nested grids in two-way communications between domains of each parent-child pair as waves get closer to coastal waters. Even with the pre-computation the task becomes non-trivial as sub-grid resolution gets finer. Currently, the finest resolution Digital Elevation Models (DEM) used by ATFM are 1/3 arc-seconds. With a serial code, large or multiple areas of very high resolution can produce run-times that are unrealistic even in a pre-computed approach. One way to increase the model performance is code parallelization used in conjunction with a multi-processor computing environment. NTWC developers have undertaken an ATFM code-parallelization effort to streamline the creation of the pre-computed database of results with the long term aim of tsunami forecasts from source to high resolution shoreline grids in real time. Parallelization will also permit timely regeneration of the forecast model database with new DEMs; and, will make possible future inclusion of new physics such as the non-hydrostatic treatment of tsunami propagation. The purpose of our presentation is to elaborate on the parallelization approach and to show the compute speed increase on various multi-processor systems.

Software Products - Naval Oceanography Portal

Science.gov Websites

section Advanced Search... Sections Home Time Earth Orientation Astronomy Meteorology Oceanography Ice You astronomy. Available as Fortran, C, or Python source code. Current version: 3.1 Software Products by Our computer or programmable calculator. Standards Of Fundamental Astronomy (SOFA) Libraries The International

Commercial Demand Module - NEMS Documentation

EIA Publications

2017-01-01

Documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) Commercial Sector Demand Module. The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated through the synthesis and scenario development based on these components.

Software Attribution for Geoscience Applications in the Computational Infrastructure for Geodynamics

NASA Astrophysics Data System (ADS)

Hwang, L.; Dumit, J.; Fish, A.; Soito, L.; Kellogg, L. H.; Smith, M.

2015-12-01

Scientific software is largely developed by individual scientists and represents a significant intellectual contribution to the field. As the scientific culture and funding agencies move towards an expectation that software be open-source, there is a corresponding need for mechanisms to cite software, both to provide credit and recognition to developers, and to aid in discoverability of software and scientific reproducibility. We assess the geodynamic modeling community's current citation practices by examining more than 300 predominantly self-reported publications utilizing scientific software in the past 5 years that is available through the Computational Infrastructure for Geodynamics (CIG). Preliminary results indicate that authors cite and attribute software either through citing (in rank order) peer-reviewed scientific publications, a user's manual, and/or a paper describing the software code. Attributions maybe found directly in the text, in acknowledgements, in figure captions, or in footnotes. What is considered citable varies widely. Citations predominantly lack software version numbers or persistent identifiers to find the software package. Versioning may be implied through reference to a versioned user manual. Authors sometimes report code features used and whether they have modified the code. As an open-source community, CIG requests that researchers contribute their modifications to the repository. However, such modifications may not be contributed back to a repository code branch, decreasing the chances of discoverability and reproducibility. Survey results through CIG's Software Attribution for Geoscience Applications (SAGA) project suggest that lack of knowledge, tools, and workflows to cite codes are barriers to effectively implement the emerging citation norms. Generated on-demand attributions on software landing pages and a prototype extensible plug-in to automatically generate attributions in codes are the first steps towards reproducibility.

GPU-accelerated atmospheric chemical kinetics in the ECHAM/MESSy (EMAC) Earth system model (version 2.52)

NASA Astrophysics Data System (ADS)

Alvanos, Michail; Christoudias, Theodoros

2017-10-01

This paper presents an application of GPU accelerators in Earth system modeling. We focus on atmospheric chemical kinetics, one of the most computationally intensive tasks in climate-chemistry model simulations. We developed a software package that automatically generates CUDA kernels to numerically integrate atmospheric chemical kinetics in the global climate model ECHAM/MESSy Atmospheric Chemistry (EMAC), used to study climate change and air quality scenarios. A source-to-source compiler outputs a CUDA-compatible kernel by parsing the FORTRAN code generated by the Kinetic PreProcessor (KPP) general analysis tool. All Rosenbrock methods that are available in the KPP numerical library are supported.Performance evaluation, using Fermi and Pascal CUDA-enabled GPU accelerators, shows achieved speed-ups of 4. 5 × and 20. 4 × , respectively, of the kernel execution time. A node-to-node real-world production performance comparison shows a 1. 75 × speed-up over the non-accelerated application using the KPP three-stage Rosenbrock solver. We provide a detailed description of the code optimizations used to improve the performance including memory optimizations, control code simplification, and reduction of idle time. The accuracy and correctness of the accelerated implementation are evaluated by comparing to the CPU-only code of the application. The median relative difference is found to be less than 0.000000001 % when comparing the output of the accelerated kernel the CPU-only code.The approach followed, including the computational workload division, and the developed GPU solver code can potentially be used as the basis for hardware acceleration of numerous geoscientific models that rely on KPP for atmospheric chemical kinetics applications.

Gravity data inversion to determine 3D topographycal density contrast of Banten area, Indonesia based on fast Fourier transform

NASA Astrophysics Data System (ADS)

Windhari, Ayuty; Handayani, Gunawan

2015-04-01

The 3D inversion gravity anomaly to estimate topographical density using a matlab source code from gridded data provided by Parker Oldenburg algorithm based on fast Fourier transform was computed. We extend and improved the source code of 3DINVERT.M invented by Gomez Ortiz and Agarwal (2005) using the relationship between Fourier transform of the gravity anomaly and the sum of the Fourier transform from the topography density. We gave density contrast between the two media to apply the inversion. FFT routine was implemented to construct amplitude spectrum to the given mean depth. The results were presented as new graphics of inverted topography density, the gravity anomaly due to the inverted topography and the difference between the input gravity data and the computed ones. It terminates when the RMS error is lower than pre-assigned value used as convergence criterion or until maximum of iterations is reached. As an example, we used the matlab program on gravity data of Banten region, Indonesia.

What makes computational open source software libraries successful?

NASA Astrophysics Data System (ADS)

Bangerth, Wolfgang; Heister, Timo

2013-01-01

Software is the backbone of scientific computing. Yet, while we regularly publish detailed accounts about the results of scientific software, and while there is a general sense of which numerical methods work well, our community is largely unaware of best practices in writing the large-scale, open source scientific software upon which our discipline rests. This is particularly apparent in the commonly held view that writing successful software packages is largely the result of simply ‘being a good programmer’ when in fact there are many other factors involved, for example the social skill of community building. In this paper, we consider what we have found to be the necessary ingredients for successful scientific software projects and, in particular, for software libraries upon which the vast majority of scientific codes are built today. In particular, we discuss the roles of code, documentation, communities, project management and licenses. We also briefly comment on the impact on academic careers of engaging in software projects.

Computer Forensics Education - the Open Source Approach

NASA Astrophysics Data System (ADS)

Huebner, Ewa; Bem, Derek; Cheung, Hon

In this chapter we discuss the application of the open source software tools in computer forensics education at tertiary level. We argue that open source tools are more suitable than commercial tools, as they provide the opportunity for students to gain in-depth understanding and appreciation of the computer forensic process as opposed to familiarity with one software product, however complex and multi-functional. With the access to all source programs the students become more than just the consumers of the tools as future forensic investigators. They can also examine the code, understand the relationship between the binary images and relevant data structures, and in the process gain necessary background to become the future creators of new and improved forensic software tools. As a case study we present an advanced subject, Computer Forensics Workshop, which we designed for the Bachelor's degree in computer science at the University of Western Sydney. We based all laboratory work and the main take-home project in this subject on open source software tools. We found that without exception more than one suitable tool can be found to cover each topic in the curriculum adequately. We argue that this approach prepares students better for forensic field work, as they gain confidence to use a variety of tools, not just a single product they are familiar with.

SOCR Analyses - an Instructional Java Web-based Statistical Analysis Toolkit.

PubMed

Chu, Annie; Cui, Jenny; Dinov, Ivo D

2009-03-01

The Statistical Online Computational Resource (SOCR) designs web-based tools for educational use in a variety of undergraduate courses (Dinov 2006). Several studies have demonstrated that these resources significantly improve students' motivation and learning experiences (Dinov et al. 2008). SOCR Analyses is a new component that concentrates on data modeling and analysis using parametric and non-parametric techniques supported with graphical model diagnostics. Currently implemented analyses include commonly used models in undergraduate statistics courses like linear models (Simple Linear Regression, Multiple Linear Regression, One-Way and Two-Way ANOVA). In addition, we implemented tests for sample comparisons, such as t-test in the parametric category; and Wilcoxon rank sum test, Kruskal-Wallis test, Friedman's test, in the non-parametric category. SOCR Analyses also include several hypothesis test models, such as Contingency tables, Friedman's test and Fisher's exact test.The code itself is open source (http://socr.googlecode.com/), hoping to contribute to the efforts of the statistical computing community. The code includes functionality for each specific analysis model and it has general utilities that can be applied in various statistical computing tasks. For example, concrete methods with API (Application Programming Interface) have been implemented in statistical summary, least square solutions of general linear models, rank calculations, etc. HTML interfaces, tutorials, source code, activities, and data are freely available via the web (www.SOCR.ucla.edu). Code examples for developers and demos for educators are provided on the SOCR Wiki website.In this article, the pedagogical utilization of the SOCR Analyses is discussed, as well as the underlying design framework. As the SOCR project is on-going and more functions and tools are being added to it, these resources are constantly improved. The reader is strongly encouraged to check the SOCR site for most updated information and newly added models.

Accelerated GPU based SPECT Monte Carlo simulations.

PubMed

Garcia, Marie-Paule; Bert, Julien; Benoit, Didier; Bardiès, Manuel; Visvikis, Dimitris

2016-06-07

Monte Carlo (MC) modelling is widely used in the field of single photon emission computed tomography (SPECT) as it is a reliable technique to simulate very high quality scans. This technique provides very accurate modelling of the radiation transport and particle interactions in a heterogeneous medium. Various MC codes exist for nuclear medicine imaging simulations. Recently, new strategies exploiting the computing capabilities of graphical processing units (GPU) have been proposed. This work aims at evaluating the accuracy of such GPU implementation strategies in comparison to standard MC codes in the context of SPECT imaging. GATE was considered the reference MC toolkit and used to evaluate the performance of newly developed GPU Geant4-based Monte Carlo simulation (GGEMS) modules for SPECT imaging. Radioisotopes with different photon energies were used with these various CPU and GPU Geant4-based MC codes in order to assess the best strategy for each configuration. Three different isotopes were considered: (99m) Tc, (111)In and (131)I, using a low energy high resolution (LEHR) collimator, a medium energy general purpose (MEGP) collimator and a high energy general purpose (HEGP) collimator respectively. Point source, uniform source, cylindrical phantom and anthropomorphic phantom acquisitions were simulated using a model of the GE infinia II 3/8" gamma camera. Both simulation platforms yielded a similar system sensitivity and image statistical quality for the various combinations. The overall acceleration factor between GATE and GGEMS platform derived from the same cylindrical phantom acquisition was between 18 and 27 for the different radioisotopes. Besides, a full MC simulation using an anthropomorphic phantom showed the full potential of the GGEMS platform, with a resulting acceleration factor up to 71. The good agreement with reference codes and the acceleration factors obtained support the use of GPU implementation strategies for improving computational efficiency of SPECT imaging simulations.

Computation of Sensitivity Derivatives of Navier-Stokes Equations using Complex Variables

NASA Technical Reports Server (NTRS)

Vatsa, Veer N.

2004-01-01

Accurate computation of sensitivity derivatives is becoming an important item in Computational Fluid Dynamics (CFD) because of recent emphasis on using nonlinear CFD methods in aerodynamic design, optimization, stability and control related problems. Several techniques are available to compute gradients or sensitivity derivatives of desired flow quantities or cost functions with respect to selected independent (design) variables. Perhaps the most common and oldest method is to use straightforward finite-differences for the evaluation of sensitivity derivatives. Although very simple, this method is prone to errors associated with choice of step sizes and can be cumbersome for geometric variables. The cost per design variable for computing sensitivity derivatives with central differencing is at least equal to the cost of three full analyses, but is usually much larger in practice due to difficulty in choosing step sizes. Another approach gaining popularity is the use of Automatic Differentiation software (such as ADIFOR) to process the source code, which in turn can be used to evaluate the sensitivity derivatives of preselected functions with respect to chosen design variables. In principle, this approach is also very straightforward and quite promising. The main drawback is the large memory requirement because memory use increases linearly with the number of design variables. ADIFOR software can also be cumber-some for large CFD codes and has not yet reached a full maturity level for production codes, especially in parallel computing environments.

Menu-driven cloud computing and resource sharing for R and Bioconductor

PubMed Central

Bolouri, Hamid; Angerman, Michael

2011-01-01

Summary: We report CRdata.org, a cloud-based, free, open-source web server for running analyses and sharing data and R scripts with others. In addition to using the free, public service, CRdata users can launch their own private Amazon Elastic Computing Cloud (EC2) nodes and store private data and scripts on Amazon's Simple Storage Service (S3) with user-controlled access rights. All CRdata services are provided via point-and-click menus. Availability and Implementation: CRdata is open-source and free under the permissive MIT License (opensource.org/licenses/mit-license.php). The source code is in Ruby (ruby-lang.org/en/) and available at: github.com/seerdata/crdata. Contact: hbolouri@fhcrc.org PMID:21685055

Computational Aerodynamic Simulations of a Spacecraft Cabin Ventilation Fan Design

NASA Technical Reports Server (NTRS)

Tweedt, Daniel L.

2010-01-01

Quieter working environments for astronauts are needed if future long-duration space exploration missions are to be safe and productive. Ventilation and payload cooling fans are known to be dominant sources of noise, with the International Space Station being a good case in point. To address this issue cost effectively, early attention to fan design, selection, and installation has been recommended, leading to an effort by NASA to examine the potential for small-fan noise reduction by improving fan aerodynamic design. As a preliminary part of that effort, the aerodynamics of a cabin ventilation fan designed by Hamilton Sundstrand has been simulated using computational fluid dynamics codes, and the computed solutions analyzed to quantify various aspects of the fan aerodynamics and performance. Four simulations were performed at the design rotational speed: two at the design flow rate and two at off-design flow rates. Following a brief discussion of the computational codes, various aerodynamic- and performance-related quantities derived from the computed flow fields are presented along with relevant flow field details. The results show that the computed fan performance is in generally good agreement with stated design goals.

openPSTD: The open source pseudospectral time-domain method for acoustic propagation

NASA Astrophysics Data System (ADS)

Hornikx, Maarten; Krijnen, Thomas; van Harten, Louis

2016-06-01

An open source implementation of the Fourier pseudospectral time-domain (PSTD) method for computing the propagation of sound is presented, which is geared towards applications in the built environment. Being a wave-based method, PSTD captures phenomena like diffraction, but maintains efficiency in processing time and memory usage as it allows to spatially sample close to the Nyquist criterion, thus keeping both the required spatial and temporal resolution coarse. In the implementation it has been opted to model the physical geometry as a composition of rectangular two-dimensional subdomains, hence initially restricting the implementation to orthogonal and two-dimensional situations. The strategy of using subdomains divides the problem domain into local subsets, which enables the simulation software to be built according to Object-Oriented Programming best practices and allows room for further computational parallelization. The software is built using the open source components, Blender, Numpy and Python, and has been published under an open source license itself as well. For accelerating the software, an option has been included to accelerate the calculations by a partial implementation of the code on the Graphical Processing Unit (GPU), which increases the throughput by up to fifteen times. The details of the implementation are reported, as well as the accuracy of the code.

Modeling high-temperature superconductors and metallic alloys on the Intel IPSC/860

NASA Astrophysics Data System (ADS)

Geist, G. A.; Peyton, B. W.; Shelton, W. A.; Stocks, G. M.

Oak Ridge National Laboratory has embarked on several computational Grand Challenges, which require the close cooperation of physicists, mathematicians, and computer scientists. One of these projects is the determination of the material properties of alloys from first principles and, in particular, the electronic structure of high-temperature superconductors. While the present focus of the project is on superconductivity, the approach is general enough to permit study of other properties of metallic alloys such as strength and magnetic properties. This paper describes the progress to date on this project. We include a description of a self-consistent KKR-CPA method, parallelization of the model, and the incorporation of a dynamic load balancing scheme into the algorithm. We also describe the development and performance of a consolidated KKR-CPA code capable of running on CRAYs, workstations, and several parallel computers without source code modification. Performance of this code on the Intel iPSC/860 is also compared to a CRAY 2, CRAY YMP, and several workstations. Finally, some density of state calculations of two perovskite superconductors are given.

Application of Fast Multipole Methods to the NASA Fast Scattering Code

NASA Technical Reports Server (NTRS)

Dunn, Mark H.; Tinetti, Ana F.

2008-01-01

The NASA Fast Scattering Code (FSC) is a versatile noise prediction program designed to conduct aeroacoustic noise reduction studies. The equivalent source method is used to solve an exterior Helmholtz boundary value problem with an impedance type boundary condition. The solution process in FSC v2.0 requires direct manipulation of a large, dense system of linear equations, limiting the applicability of the code to small scales and/or moderate excitation frequencies. Recent advances in the use of Fast Multipole Methods (FMM) for solving scattering problems, coupled with sparse linear algebra techniques, suggest that a substantial reduction in computer resource utilization over conventional solution approaches can be obtained. Implementation of the single level FMM (SLFMM) and a variant of the Conjugate Gradient Method (CGM) into the FSC is discussed in this paper. The culmination of this effort, FSC v3.0, was used to generate solutions for three configurations of interest. Benchmarking against previously obtained simulations indicate that a twenty-fold reduction in computational memory and up to a four-fold reduction in computer time have been achieved on a single processor.

Advanced Doubling Adding Method for Radiative Transfer in Planetary Atmospheres

NASA Astrophysics Data System (ADS)

Liu, Quanhua; Weng, Fuzhong

2006-12-01

The doubling adding method (DA) is one of the most accurate tools for detailed multiple-scattering calculations. The principle of the method goes back to the nineteenth century in a problem dealing with reflection and transmission by glass plates. Since then the doubling adding method has been widely used as a reference tool for other radiative transfer models. The method has never been used in operational applications owing to tremendous demand on computational resources from the model. This study derives an analytical expression replacing the most complicated thermal source terms in the doubling adding method. The new development is called the advanced doubling adding (ADA) method. Thanks also to the efficiency of matrix and vector manipulations in FORTRAN 90/95, the advanced doubling adding method is about 60 times faster than the doubling adding method. The radiance (i.e., forward) computation code of ADA is easily translated into tangent linear and adjoint codes for radiance gradient calculations. The simplicity in forward and Jacobian computation codes is very useful for operational applications and for the consistency between the forward and adjoint calculations in satellite data assimilation.

Alternative modeling methods for plasma-based Rf ion sources

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

Veitzer, Seth A., E-mail: veitzer@txcorp.com; Kundrapu, Madhusudhan, E-mail: madhusnk@txcorp.com; Stoltz, Peter H., E-mail: phstoltz@txcorp.com

Rf-driven ion sources for accelerators and many industrial applications benefit from detailed numerical modeling and simulation of plasma characteristics. For instance, modeling of the Spallation Neutron Source (SNS) internal antenna H{sup −} source has indicated that a large plasma velocity is induced near bends in the antenna where structural failures are often observed. This could lead to improved designs and ion source performance based on simulation and modeling. However, there are significant separations of time and spatial scales inherent to Rf-driven plasma ion sources, which makes it difficult to model ion sources with explicit, kinetic Particle-In-Cell (PIC) simulation codes. Inmore » particular, if both electron and ion motions are to be explicitly modeled, then the simulation time step must be very small, and total simulation times must be large enough to capture the evolution of the plasma ions, as well as extending over many Rf periods. Additional physics processes such as plasma chemistry and surface effects such as secondary electron emission increase the computational requirements in such a way that even fully parallel explicit PIC models cannot be used. One alternative method is to develop fluid-based codes coupled with electromagnetics in order to model ion sources. Time-domain fluid models can simulate plasma evolution, plasma chemistry, and surface physics models with reasonable computational resources by not explicitly resolving electron motions, which thereby leads to an increase in the time step. This is achieved by solving fluid motions coupled with electromagnetics using reduced-physics models, such as single-temperature magnetohydrodynamics (MHD), extended, gas dynamic, and Hall MHD, and two-fluid MHD models. We show recent results on modeling the internal antenna H{sup −} ion source for the SNS at Oak Ridge National Laboratory using the fluid plasma modeling code USim. We compare demonstrate plasma temperature equilibration in two-temperature MHD models for the SNS source and present simulation results demonstrating plasma evolution over many Rf periods for different plasma temperatures. We perform the calculations in parallel, on unstructured meshes, using finite-volume solvers in order to obtain results in reasonable time.« less

Alternative modeling methods for plasma-based Rf ion sources.

PubMed

Veitzer, Seth A; Kundrapu, Madhusudhan; Stoltz, Peter H; Beckwith, Kristian R C

2016-02-01

Rf-driven ion sources for accelerators and many industrial applications benefit from detailed numerical modeling and simulation of plasma characteristics. For instance, modeling of the Spallation Neutron Source (SNS) internal antenna H(-) source has indicated that a large plasma velocity is induced near bends in the antenna where structural failures are often observed. This could lead to improved designs and ion source performance based on simulation and modeling. However, there are significant separations of time and spatial scales inherent to Rf-driven plasma ion sources, which makes it difficult to model ion sources with explicit, kinetic Particle-In-Cell (PIC) simulation codes. In particular, if both electron and ion motions are to be explicitly modeled, then the simulation time step must be very small, and total simulation times must be large enough to capture the evolution of the plasma ions, as well as extending over many Rf periods. Additional physics processes such as plasma chemistry and surface effects such as secondary electron emission increase the computational requirements in such a way that even fully parallel explicit PIC models cannot be used. One alternative method is to develop fluid-based codes coupled with electromagnetics in order to model ion sources. Time-domain fluid models can simulate plasma evolution, plasma chemistry, and surface physics models with reasonable computational resources by not explicitly resolving electron motions, which thereby leads to an increase in the time step. This is achieved by solving fluid motions coupled with electromagnetics using reduced-physics models, such as single-temperature magnetohydrodynamics (MHD), extended, gas dynamic, and Hall MHD, and two-fluid MHD models. We show recent results on modeling the internal antenna H(-) ion source for the SNS at Oak Ridge National Laboratory using the fluid plasma modeling code USim. We compare demonstrate plasma temperature equilibration in two-temperature MHD models for the SNS source and present simulation results demonstrating plasma evolution over many Rf periods for different plasma temperatures. We perform the calculations in parallel, on unstructured meshes, using finite-volume solvers in order to obtain results in reasonable time.

Automated real-time software development

NASA Technical Reports Server (NTRS)

Jones, Denise R.; Walker, Carrie K.; Turkovich, John J.

1993-01-01

A Computer-Aided Software Engineering (CASE) system has been developed at the Charles Stark Draper Laboratory (CSDL) under the direction of the NASA Langley Research Center. The CSDL CASE tool provides an automated method of generating source code and hard copy documentation from functional application engineering specifications. The goal is to significantly reduce the cost of developing and maintaining real-time scientific and engineering software while increasing system reliability. This paper describes CSDL CASE and discusses demonstrations that used the tool to automatically generate real-time application code.

ONR Far East Scientific Bulletin, Volume 7, Number 2, April-June 1982,

DTIC Science & Technology

1982-01-01

contained source code . - PAL (Program Automation Language) PAL is a system design language that automatically generates an executable program from a...NTIS c3&1 DTIC TliB Unn ’l.- A ElJustitt for _ By - Distrib~tion Availability Codes Avail and/or Di st Speojal iii 0- CONTENTS~ P age r’A Gflmpse at...tools exist at ECL in prototype forms. Like most major computer manufacturers, they have also extended high level languages such as FORTRAN , COBOL

Building and Vegetation Rasterization for the Three-dimensional Wind Field (3DWF) Model

DTIC Science & Technology

2010-12-01

Maps API. By design, JavaScript limits access to local resources. This is done to protect against the execution of malicious code. However, ActiveX ...to only use these types of objects ( ActiveX or XPCOM) from a trusted source in order to minimize the exposure of a computer system to malware...Microsoft ActiveX . There is also a need to restructure and rethink the implementation of the JavaScript code. It would be desirable to save the digitized

Recent Improvements in the FDNS CFD Code and its Associated Process

NASA Technical Reports Server (NTRS)

West, Jeff S.; Dorney, Suzanne M.; Turner, Jim (Technical Monitor)

2002-01-01

This viewgraph presentation gives an overview on recent improvements in the Finite Difference Navier Stokes (FDNS) computational fluid dynamics (CFD) code and its associated process. The development of a utility, PreViewer, has essentially eliminated the creeping of simple human error into the FDNS Solution process. Extension of PreViewer to encapsulate the Domain Decompression process has made practical the routine use of parallel processing. The combination of CVS source control and ATS consistency validation significantly increases the efficiency of the CFD process.

Implementing Scientific Simulation Codes Highly Tailored for Vector Architectures Using Custom Configurable Computing Machines

NASA Technical Reports Server (NTRS)

Rutishauser, David

2006-01-01

The motivation for this work comes from an observation that amidst the push for Massively Parallel (MP) solutions to high-end computing problems such as numerical physical simulations, large amounts of legacy code exist that are highly optimized for vector supercomputers. Because re-hosting legacy code often requires a complete re-write of the original code, which can be a very long and expensive effort, this work examines the potential to exploit reconfigurable computing machines in place of a vector supercomputer to implement an essentially unmodified legacy source code. Custom and reconfigurable computing resources could be used to emulate an original application's target platform to the extent required to achieve high performance. To arrive at an architecture that delivers the desired performance subject to limited resources involves solving a multi-variable optimization problem with constraints. Prior research in the area of reconfigurable computing has demonstrated that designing an optimum hardware implementation of a given application under hardware resource constraints is an NP-complete problem. The premise of the approach is that the general issue of applying reconfigurable computing resources to the implementation of an application, maximizing the performance of the computation subject to physical resource constraints, can be made a tractable problem by assuming a computational paradigm, such as vector processing. This research contributes a formulation of the problem and a methodology to design a reconfigurable vector processing implementation of a given application that satisfies a performance metric. A generic, parametric, architectural framework for vector processing implemented in reconfigurable logic is developed as a target for a scheduling/mapping algorithm that maps an input computation to a given instance of the architecture. This algorithm is integrated with an optimization framework to arrive at a specification of the architecture parameters that attempts to minimize execution time, while staying within resource constraints. The flexibility of using a custom reconfigurable implementation is exploited in a unique manner to leverage the lessons learned in vector supercomputer development. The vector processing framework is tailored to the application, with variable parameters that are fixed in traditional vector processing. Benchmark data that demonstrates the functionality and utility of the approach is presented. The benchmark data includes an identified bottleneck in a real case study example vector code, the NASA Langley Terminal Area Simulation System (TASS) application.

Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.

PubMed

Karthikeyan, M; Krishnan, S; Pandey, Anil Kumar; Bender, Andreas; Tropsha, Alexander

2008-04-01

We present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its "plug-in architecture". The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.ncl.res.in/chemstar/.

48 CFR 52.227-20 - Rights in Data-SBIR Program.

Code of Federal Regulations, 2011 CFR

2011-10-01

... series of operations; and (ii) Recorded information comprising source code listings, design details...) Means (i) Computer programs that comprise a series of instructions, rules, routines, or statements... small business innovation research contract issued under the authority of 15 U.S.C. 638, which data are...

48 CFR 52.227-20 - Rights in Data-SBIR Program.

Code of Federal Regulations, 2010 CFR

2010-10-01

... series of operations; and (ii) Recorded information comprising source code listings, design details...) Means (i) Computer programs that comprise a series of instructions, rules, routines, or statements... small business innovation research contract issued under the authority of 15 U.S.C. 638, which data are...

48 CFR 52.227-20 - Rights in Data-SBIR Program.

Code of Federal Regulations, 2013 CFR

2013-10-01

... series of operations; and (ii) Recorded information comprising source code listings, design details...) Means (i) Computer programs that comprise a series of instructions, rules, routines, or statements... small business innovation research contract issued under the authority of 15 U.S.C. 638, which data are...

48 CFR 52.227-20 - Rights in Data-SBIR Program.

Code of Federal Regulations, 2012 CFR

2012-10-01

... series of operations; and (ii) Recorded information comprising source code listings, design details...) Means (i) Computer programs that comprise a series of instructions, rules, routines, or statements... small business innovation research contract issued under the authority of 15 U.S.C. 638, which data are...

48 CFR 52.227-20 - Rights in Data-SBIR Program.

Code of Federal Regulations, 2014 CFR

2014-10-01

... series of operations; and (ii) Recorded information comprising source code listings, design details...) Means (i) Computer programs that comprise a series of instructions, rules, routines, or statements... small business innovation research contract issued under the authority of 15 U.S.C. 638, which data are...

Line-Editor Computer Program

NASA Technical Reports Server (NTRS)

Scott, Peter J.

1989-01-01

ZED editing program for DEC VAX computer simple, powerful line editor for text, program source code, and nonbinary data. Excels in processing of text by use of procedure files. Also features versatile search qualifiers, global changes, conditionals, online help, hexadecimal mode, space compression, looping, logical combinations of search strings, journaling, visible control characters, and automatic detabbing. Users of Cambridge implementation devised such ZED procedures as chess games, calculators, and programs for evaluating pi. Written entirely in C.

Computational mechanics analysis tools for parallel-vector supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, O. O.; Nguyen, D. T.; Baddourah, M. A.; Qin, J.

1993-01-01

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigen-solution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization algorithm and domain decomposition. The source code for many of these algorithms is available from NASA Langley.

A computer simulation of the transient response of a 4 cylinder Stirling engine with burner and air preheater in a vehicle

NASA Technical Reports Server (NTRS)

Martini, W. R.

1981-01-01

A series of computer programs are presented with full documentation which simulate the transient behavior of a modern 4 cylinder Siemens arrangement Stirling engine with burner and air preheater. Cold start, cranking, idling, acceleration through 3 gear changes and steady speed operation are simulated. Sample results and complete operating instructions are given. A full source code listing of all programs are included.

Spurious Numerical Solutions Of Differential Equations

NASA Technical Reports Server (NTRS)

Lafon, A.; Yee, H. C.

1995-01-01

Paper presents detailed study of spurious steady-state numerical solutions of differential equations that contain nonlinear source terms. Main objectives of this study are (1) to investigate how well numerical steady-state solutions of model nonlinear reaction/convection boundary-value problem mimic true steady-state solutions and (2) to relate findings of this investigation to implications for interpretation of numerical results from computational-fluid-dynamics algorithms and computer codes used to simulate reacting flows.

The EDIT-COMGEOM Code

DTIC Science & Technology

1975-09-01

This report assumes a familiarity with the GIFT and MAGIC computer codes. The EDIT-COMGEOM code is a FORTRAN computer code. The EDIT-COMGEOM code...converts the target description data which was used in the MAGIC computer code to the target description data which can be used in the GIFT computer code

NPTFit: A Code Package for Non-Poissonian Template Fitting

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

Mishra-Sharma, Siddharth; Rodd, Nicholas L.; Safdi, Benjamin R., E-mail: smsharma@princeton.edu, E-mail: nrodd@mit.edu, E-mail: bsafdi@mit.edu

We present NPTFit, an open-source code package, written in Python and Cython, for performing non-Poissonian template fits (NPTFs). The NPTF is a recently developed statistical procedure for characterizing the contribution of unresolved point sources (PSs) to astrophysical data sets. The NPTF was first applied to Fermi gamma-ray data to provide evidence that the excess of ∼GeV gamma-rays observed in the inner regions of the Milky Way likely arises from a population of sub-threshold point sources, and the NPTF has since found additional applications studying sub-threshold extragalactic sources at high Galactic latitudes. The NPTF generalizes traditional astrophysical template fits to allowmore » for the ability to search for populations of unresolved PSs that may follow a given spatial distribution. NPTFit builds upon the framework of the fluctuation analyses developed in X-ray astronomy, thus it likely has applications beyond those demonstrated with gamma-ray data. The NPTFit package utilizes novel computational methods to perform the NPTF efficiently. The code is available at http://github.com/bsafdi/NPTFit and up-to-date and extensive documentation may be found at http://nptfit.readthedocs.io.« less

Software for universal noiseless coding

NASA Technical Reports Server (NTRS)

Rice, R. F.; Schlutsmeyer, A. P.

1981-01-01

An overview is provided of the universal noiseless coding algorithms as well as their relationship to the now available FORTRAN implementations. It is suggested that readers considering investigating the utility of these algorithms for actual applications should consult both NASA's Computer Software Management and Information Center (COSMIC) and descriptions of coding techniques provided by Rice (1979). Examples of applying these techniques have also been given by Rice (1975, 1979, 1980). Attention is given to reversible preprocessing, general implementation instructions, naming conventions, and calling arguments. A general applicability of the considered algorithms to solving practical problems is obtained because most real data sources can be simply transformed into the required form by appropriate preprocessing.

Electron-beam-ion-source (EBIS) modeling progress at FAR-TECH, Inc

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

Kim, J. S., E-mail: kim@far-tech.com; Zhao, L., E-mail: kim@far-tech.com; Spencer, J. A., E-mail: kim@far-tech.com

FAR-TECH, Inc. has been developing a numerical modeling tool for Electron-Beam-Ion-Sources (EBISs). The tool consists of two codes. One is the Particle-Beam-Gun-Simulation (PBGUNS) code to simulate a steady state electron beam and the other is the EBIS-Particle-In-Cell (EBIS-PIC) code to simulate ion charge breeding with the electron beam. PBGUNS, a 2D (r,z) electron gun and ion source simulation code, has been extended for efficient modeling of EBISs and the work was presented previously. EBIS-PIC is a space charge self-consistent PIC code and is written to simulate charge breeding in an axisymmetric 2D (r,z) device allowing for full three-dimensional ion dynamics.more » This 2D code has been successfully benchmarked with Test-EBIS measurements at Brookhaven National Laboratory. For long timescale (< tens of ms) ion charge breeding, the 2D EBIS-PIC simulations take a long computational time making the simulation less practical. Most of the EBIS charge breeding, however, may be modeled in 1D (r) as the axial dependence of the ion dynamics may be ignored in the trap. Where 1D approximations are valid, simulations of charge breeding in an EBIS over long time scales become possible, using EBIS-PIC together with PBGUNS. Initial 1D results are presented. The significance of the magnetic field to ion dynamics, ion cooling effects due to collisions with neutral gas, and the role of Coulomb collisions are presented.« less

JACOB: an enterprise framework for computational chemistry.

PubMed

Waller, Mark P; Dresselhaus, Thomas; Yang, Jack

2013-06-15

Here, we present just a collection of beans (JACOB): an integrated batch-based framework designed for the rapid development of computational chemistry applications. The framework expedites developer productivity by handling the generic infrastructure tier, and can be easily extended by user-specific scientific code. Paradigms from enterprise software engineering were rigorously applied to create a scalable, testable, secure, and robust framework. A centralized web application is used to configure and control the operation of the framework. The application-programming interface provides a set of generic tools for processing large-scale noninteractive jobs (e.g., systematic studies), or for coordinating systems integration (e.g., complex workflows). The code for the JACOB framework is open sourced and is available at: www.wallerlab.org/jacob. Copyright © 2013 Wiley Periodicals, Inc.

Analyzing and modeling gravity and magnetic anomalies using the SPHERE program and Magsat data

NASA Technical Reports Server (NTRS)

Braile, L. W.; Hinze, W. J.; Vonfrese, R. R. B. (Principal Investigator)

1981-01-01

Computer codes were completed, tested, and documented for analyzing magnetic anomaly vector components by equivalent point dipole inversion. The codes are intended for use in inverting the magnetic anomaly due to a spherical prism in a horizontal geomagnetic field and for recomputing the anomaly in a vertical geomagnetic field. Modeling of potential fields at satellite elevations that are derived from three dimensional sources by program SPHERE was made significantly more efficient by improving the input routines. A preliminary model of the Andean subduction zone was used to compute the anomaly at satellite elevations using both actual geomagnetic parameters and vertical polarization. Program SPHERE is also being used to calculate satellite level magnetic and gravity anomalies from the Amazon River Aulacogen.

MCNP and GADRAS Comparisons

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

Klasky, Marc Louis; Myers, Steven Charles; James, Michael R.

To facilitate the timely execution of System Threat Reviews (STRs) for DNDO, and also to develop a methodology for performing STRs, LANL performed comparisons of several radiation transport codes (MCNP, GADRAS, and Gamma-Designer) that have been previously utilized to compute radiation signatures. While each of these codes has strengths, it is of paramount interest to determine the limitations of each of the respective codes and also to identify the most time efficient means by which to produce computational results, given the large number of parametric cases that are anticipated in performing STR's. These comparisons serve to identify regions of applicabilitymore » for each code and provide estimates of uncertainty that may be anticipated. Furthermore, while performing these comparisons, examination of the sensitivity of the results to modeling assumptions was also examined. These investigations serve to enable the creation of the LANL methodology for performing STRs. Given the wide variety of radiation test sources, scenarios, and detectors, LANL calculated comparisons of the following parameters: decay data, multiplicity, device (n,γ) leakages, and radiation transport through representative scenes and shielding. This investigation was performed to understand potential limitations utilizing specific codes for different aspects of the STR challenges.« less

Supporting the Cybercrime Investigation Process: Effective Discrimination of Source Code Authors Based on Byte-Level Information

NASA Astrophysics Data System (ADS)

Frantzeskou, Georgia; Stamatatos, Efstathios; Gritzalis, Stefanos

Source code authorship analysis is the particular field that attempts to identify the author of a computer program by treating each program as a linguistically analyzable entity. This is usually based on other undisputed program samples from the same author. There are several cases where the application of such a method could be of a major benefit, such as tracing the source of code left in the system after a cyber attack, authorship disputes, proof of authorship in court, etc. In this paper, we present our approach which is based on byte-level n-gram profiles and is an extension of a method that has been successfully applied to natural language text authorship attribution. We propose a simplified profile and a new similarity measure which is less complicated than the algorithm followed in text authorship attribution and it seems more suitable for source code identification since is better able to deal with very small training sets. Experiments were performed on two different data sets, one with programs written in C++ and the second with programs written in Java. Unlike the traditional language-dependent metrics used by previous studies, our approach can be applied to any programming language with no additional cost. The presented accuracy rates are much better than the best reported results for the same data sets.

APORT: a program for the area-based apportionment of county variables to cells of a polar grid. [Airborne pollutant transport models

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

Fields, D.E.; Little, C.A.

1978-11-01

The APORT computer code was developed to apportion variables tabulated for polygon-structured civil districts onto cells of a polar grid. The apportionment is based on fractional overlap between the polygon and the grid cells. Centering the origin of the polar system at a pollutant source site yields results that are very useful for assessing and interpreting the effects of airborne pollutant dissemination. The APOPLT graphics code, which uses the same data set as APORT, provides a convenient visual display of the polygon structure and the extent of the polar grid. The APORT/APOPLT methodology was verified by application to county summariesmore » of cattle population for counties surrounding the Oyster Creek, New Jersey, nuclear power plant. These numerical results, which were obtained using approximately 2-min computer time on an IBM System 360/91 computer, compare favorably to results of manual computations in both speed and accuracy.« less

Optimization of monitoring networks based on uncertainty quantification of model predictions of contaminant transport

NASA Astrophysics Data System (ADS)

Vesselinov, V. V.; Harp, D.

2010-12-01

The process of decision making to protect groundwater resources requires a detailed estimation of uncertainties in model predictions. Various uncertainties associated with modeling a natural system, such as: (1) measurement and computational errors; (2) uncertainties in the conceptual model and model-parameter estimates; (3) simplifications in model setup and numerical representation of governing processes, contribute to the uncertainties in the model predictions. Due to this combination of factors, the sources of predictive uncertainties are generally difficult to quantify individually. Decision support related to optimal design of monitoring networks requires (1) detailed analyses of existing uncertainties related to model predictions of groundwater flow and contaminant transport, (2) optimization of the proposed monitoring network locations in terms of their efficiency to detect contaminants and provide early warning. We apply existing and newly-proposed methods to quantify predictive uncertainties and to optimize well locations. An important aspect of the analysis is the application of newly-developed optimization technique based on coupling of Particle Swarm and Levenberg-Marquardt optimization methods which proved to be robust and computationally efficient. These techniques and algorithms are bundled in a software package called MADS. MADS (Model Analyses for Decision Support) is an object-oriented code that is capable of performing various types of model analyses and supporting model-based decision making. The code can be executed under different computational modes, which include (1) sensitivity analyses (global and local), (2) Monte Carlo analysis, (3) model calibration, (4) parameter estimation, (5) uncertainty quantification, and (6) model selection. The code can be externally coupled with any existing model simulator through integrated modules that read/write input and output files using a set of template and instruction files (consistent with the PEST I/O protocol). MADS can also be internally coupled with a series of built-in analytical simulators. MADS provides functionality to work directly with existing control files developed for the code PEST (Doherty 2009). To perform the computational modes mentioned above, the code utilizes (1) advanced Latin-Hypercube sampling techniques (including Improved Distributed Sampling), (2) various gradient-based Levenberg-Marquardt optimization methods, (3) advanced global optimization methods (including Particle Swarm Optimization), and (4) a selection of alternative objective functions. The code has been successfully applied to perform various model analyses related to environmental management of real contamination sites. Examples include source identification problems, quantification of uncertainty, model calibration, and optimization of monitoring networks. The methodology and software codes are demonstrated using synthetic and real case studies where monitoring networks are optimized taking into account the uncertainty in model predictions of contaminant transport.

Coding Strategies and Implementations of Compressive Sensing

NASA Astrophysics Data System (ADS)

Tsai, Tsung-Han

This dissertation studies the coding strategies of computational imaging to overcome the limitation of conventional sensing techniques. The information capacity of conventional sensing is limited by the physical properties of optics, such as aperture size, detector pixels, quantum efficiency, and sampling rate. These parameters determine the spatial, depth, spectral, temporal, and polarization sensitivity of each imager. To increase sensitivity in any dimension can significantly compromise the others. This research implements various coding strategies subject to optical multidimensional imaging and acoustic sensing in order to extend their sensing abilities. The proposed coding strategies combine hardware modification and signal processing to exploiting bandwidth and sensitivity from conventional sensors. We discuss the hardware architecture, compression strategies, sensing process modeling, and reconstruction algorithm of each sensing system. Optical multidimensional imaging measures three or more dimensional information of the optical signal. Traditional multidimensional imagers acquire extra dimensional information at the cost of degrading temporal or spatial resolution. Compressive multidimensional imaging multiplexes the transverse spatial, spectral, temporal, and polarization information on a two-dimensional (2D) detector. The corresponding spectral, temporal and polarization coding strategies adapt optics, electronic devices, and designed modulation techniques for multiplex measurement. This computational imaging technique provides multispectral, temporal super-resolution, and polarization imaging abilities with minimal loss in spatial resolution and noise level while maintaining or gaining higher temporal resolution. The experimental results prove that the appropriate coding strategies may improve hundreds times more sensing capacity. Human auditory system has the astonishing ability in localizing, tracking, and filtering the selected sound sources or information from a noisy environment. Using engineering efforts to accomplish the same task usually requires multiple detectors, advanced computational algorithms, or artificial intelligence systems. Compressive acoustic sensing incorporates acoustic metamaterials in compressive sensing theory to emulate the abilities of sound localization and selective attention. This research investigates and optimizes the sensing capacity and the spatial sensitivity of the acoustic sensor. The well-modeled acoustic sensor allows localizing multiple speakers in both stationary and dynamic auditory scene; and distinguishing mixed conversations from independent sources with high audio recognition rate.

Summary Report of Working Group 2: Computation

NASA Astrophysics Data System (ADS)

Stoltz, P. H.; Tsung, R. S.

2009-01-01

The working group on computation addressed three physics areas: (i) plasma-based accelerators (laser-driven and beam-driven), (ii) high gradient structure-based accelerators, and (iii) electron beam sources and transport [1]. Highlights of the talks in these areas included new models of breakdown on the microscopic scale, new three-dimensional multipacting calculations with both finite difference and finite element codes, and detailed comparisons of new electron gun models with standard models such as PARMELA. The group also addressed two areas of advances in computation: (i) new algorithms, including simulation in a Lorentz-boosted frame that can reduce computation time orders of magnitude, and (ii) new hardware architectures, like graphics processing units and Cell processors that promise dramatic increases in computing power. Highlights of the talks in these areas included results from the first large-scale parallel finite element particle-in-cell code (PIC), many order-of-magnitude speedup of, and details of porting the VPIC code to the Roadrunner supercomputer. The working group featured two plenary talks, one by Brian Albright of Los Alamos National Laboratory on the performance of the VPIC code on the Roadrunner supercomputer, and one by David Bruhwiler of Tech-X Corporation on recent advances in computation for advanced accelerators. Highlights of the talk by Albright included the first one trillion particle simulations, a sustained performance of 0.3 petaflops, and an eight times speedup of science calculations, including back-scatter in laser-plasma interaction. Highlights of the talk by Bruhwiler included simulations of 10 GeV accelerator laser wakefield stages including external injection, new developments in electromagnetic simulations of electron guns using finite difference and finite element approaches.

Summary Report of Working Group 2: Computation

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

Stoltz, P. H.; Tsung, R. S.

2009-01-22

The working group on computation addressed three physics areas: (i) plasma-based accelerators (laser-driven and beam-driven), (ii) high gradient structure-based accelerators, and (iii) electron beam sources and transport [1]. Highlights of the talks in these areas included new models of breakdown on the microscopic scale, new three-dimensional multipacting calculations with both finite difference and finite element codes, and detailed comparisons of new electron gun models with standard models such as PARMELA. The group also addressed two areas of advances in computation: (i) new algorithms, including simulation in a Lorentz-boosted frame that can reduce computation time orders of magnitude, and (ii) newmore » hardware architectures, like graphics processing units and Cell processors that promise dramatic increases in computing power. Highlights of the talks in these areas included results from the first large-scale parallel finite element particle-in-cell code (PIC), many order-of-magnitude speedup of, and details of porting the VPIC code to the Roadrunner supercomputer. The working group featured two plenary talks, one by Brian Albright of Los Alamos National Laboratory on the performance of the VPIC code on the Roadrunner supercomputer, and one by David Bruhwiler of Tech-X Corporation on recent advances in computation for advanced accelerators. Highlights of the talk by Albright included the first one trillion particle simulations, a sustained performance of 0.3 petaflops, and an eight times speedup of science calculations, including back-scatter in laser-plasma interaction. Highlights of the talk by Bruhwiler included simulations of 10 GeV accelerator laser wakefield stages including external injection, new developments in electromagnetic simulations of electron guns using finite difference and finite element approaches.« less

Utilities for master source code distribution: MAX and Friends

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.

1988-01-01

MAX is a program for the manipulation of FORTRAN master source code (MSC). This is a technique by which one maintains one and only one master copy of a FORTRAN program under a program developing system, which for MAX is assumed to be VAX/VMS. The master copy is not intended to be directly compiled. Instead it must be pre-processed by MAX to produce compilable instances. These instances may correspond to different code versions (for example, double precision versus single precision), different machines (for example, IBM, CDC, Cray) or different operating systems (i.e., VAX/VMS versus VAX/UNIX). The advantage os using a master source is more pronounced in complex application programs that are developed and maintained over many years and are to be transported and executed on several computer environments. The version lag problem that plagues many such programs is avoided by this approach. MAX is complemented by several auxiliary programs that perform nonessential functions. The ensemble is collectively known as MAX and Friends. All of these programs, including MAX, are executed as foreign VAX/VMS commands and can easily be hidden in customized VMS command procedures.

Initial Integration of Noise Prediction Tools for Acoustic Scattering Effects

NASA Technical Reports Server (NTRS)

Nark, Douglas M.; Burley, Casey L.; Tinetti, Ana; Rawls, John W.

2008-01-01

This effort provides an initial glimpse at NASA capabilities available in predicting the scattering of fan noise from a non-conventional aircraft configuration. The Aircraft NOise Prediction Program, Fast Scattering Code, and the Rotorcraft Noise Model were coupled to provide increased fidelity models of scattering effects on engine fan noise sources. The integration of these codes led to the identification of several keys issues entailed in applying such multi-fidelity approaches. In particular, for prediction at noise certification points, the inclusion of distributed sources leads to complications with the source semi-sphere approach. Computational resource requirements limit the use of the higher fidelity scattering code to predict radiated sound pressure levels for full scale configurations at relevant frequencies. And, the ability to more accurately represent complex shielding surfaces in current lower fidelity models is necessary for general application to scattering predictions. This initial step in determining the potential benefits/costs of these new methods over the existing capabilities illustrates a number of the issues that must be addressed in the development of next generation aircraft system noise prediction tools.

Analysis of neutron and gamma-ray streaming along the maze of NRCAM thallium production target room.

PubMed

Raisali, G; Hajiloo, N; Hamidi, S; Aslani, G

2006-08-01

Study of the shield performance of a thallium-203 production target room has been investigated in this work. Neutron and gamma-ray equivalent dose rates at various points of the maze are calculated by simulating the transport of streaming neutrons, and photons using Monte Carlo method. For determination of neutron and gamma-ray source intensities and their energy spectrum, we have applied SRIM 2003 and ALICE91 computer codes to Tl target and its Cu substrate for a 145 microA of 28.5 MeV protons beam. The MCNP/4C code has been applied with neutron source term in mode n p to consider both prompt neutrons and secondary gamma-rays. Then the code is applied for the prompt gamma-rays as the source term. The neutron-flux energy spectrum and equivalent dose rates for neutron and gamma-rays in various positions in the maze have been calculated. It has been found that the deviation between calculated and measured dose values along the maze is less than 20%.

GENPLOT: A formula-based Pascal program for data manipulation and plotting

NASA Astrophysics Data System (ADS)

Kramer, Matthew J.

Geochemical processes involving alteration, differentiation, fractionation, or migration of elements may be elucidated by a number of discrimination or variation diagrams (e.g., AFM, Harker, Pearce, and many others). The construction of these diagrams involves arithmetic combination of selective elements (involving major, minor, or trace elements). GENPLOT utilizes a formula-based algorithm (an expression parser) which enables the program to manipulate multiparameter databases and plot XY, ternary, tetrahedron, and REE type plots without needing to change either the source code or rearranging databases. Formulae may be any quadratic expression whose variables are the column headings of the data matrix. A full-screen editor with limited equations and arithmetic functions (spreadsheet) has been incorporated into the program to aid data entry and editing. Data are stored as ASCII files to facilitate interchange of data between other programs and computers. GENPLOT was developed in Turbo Pascal for the IBM and compatible computers but also is available in Apple Pascal for the Apple Ile and Ill. Because the source code is too extensive to list here (about 5200 lines of Pascal code), the expression parsing routine, which is central to GENPLOT's flexibility is incorporated into a smaller demonstration program named SOLVE. The following paper includes a discussion on how the expression parser works and a detailed description of GENPLOT's capabilities.

A new free and open source tool for space plasma modeling.

NASA Astrophysics Data System (ADS)

Honkonen, I. J.

2014-12-01

I will present a new distributed memory parallel, free and open source computational model for studying space plasma. The model is written in C++ with emphasis on good software development practices and code readability without sacrificing serial or parallel performance. As such the model could be especially useful for education, for learning both (magneto)hydrodynamics (MHD) and computational model development. By using latest features of the C++ standard (2011) it has been possible to develop a very modular program which improves not only the readability of code but also the testability of the model and decreases the effort required to make changes to various parts of the program. Major parts of the model, functionality not directly related to (M)HD, have been outsourced to other freely available libraries which has reduced the development time of the model significantly. I will present an overview of the code architecture as well as details of different parts of the model and will show examples of using the model including preparing input files and plotting results. A multitude of 1-, 2- and 3-dimensional test cases are included in the software distribution and the results of, for example, Kelvin-Helmholtz, bow shock, blast wave and reconnection tests, will be presented.

A comparison between EGS4 and MCNP computer modeling of an in vivo X-ray fluorescence system.

PubMed

Al-Ghorabie, F H; Natto, S S; Al-Lyhiani, S H

2001-03-01

The Monte Carlo computer codes EGS4 and MCNP were used to develop a theoretical model of a 180 degrees geometry in vivo X-ray fluorescence system for the measurement of platinum concentration in head and neck tumors. The model included specification of the photon source, collimators, phantoms and detector. Theoretical results were compared and evaluated against X-ray fluorescence data obtained experimentally from an existing system developed by the Swansea In Vivo Analysis and Cancer Research Group. The EGS4 results agreed well with the MCNP results. However, agreement between the measured spectral shape obtained using the experimental X-ray fluorescence system and the simulated spectral shape obtained using the two Monte Carlo codes was relatively poor. The main reason for the disagreement between the results arises from the basic assumptions which the two codes used in their calculations. Both codes assume a "free" electron model for Compton interactions. This assumption will underestimate the results and invalidates any predicted and experimental spectra when compared with each other.

Cross-verification of the GENE and XGC codes in preparation for their coupling

NASA Astrophysics Data System (ADS)

Jenko, Frank; Merlo, Gabriele; Bhattacharjee, Amitava; Chang, Cs; Dominski, Julien; Ku, Seunghoe; Parker, Scott; Lanti, Emmanuel

2017-10-01

A high-fidelity Whole Device Model (WDM) of a magnetically confined plasma is a crucial tool for planning and optimizing the design of future fusion reactors, including ITER. Aiming at building such a tool, in the framework of the Exascale Computing Project (ECP) the two existing gyrokinetic codes GENE (Eulerian delta-f) and XGC (PIC full-f) will be coupled, thus enabling to carry out first principle kinetic WDM simulations. In preparation for this ultimate goal, a benchmark between the two codes is carried out looking at ITG modes in the adiabatic electron limit. This verification exercise is also joined by the global Lagrangian PIC code ORB5. Linear and nonlinear comparisons have been carried out, neglecting for simplicity collisions and sources. A very good agreement is recovered on frequency, growth rate and mode structure of linear modes. A similarly excellent agreement is also observed comparing the evolution of the heat flux and of the background temperature profile during nonlinear simulations. Work supported by the US DOE under the Exascale Computing Project (17-SC-20-SC).

Computer-Aided Engineering (CAE) Tool Assessment/Development

DTIC Science & Technology

1990-09-01

ionized, generating glow as well as acting as a plasma source.(see below) The code SOCRATES (Shuttle Orbiter Contamination Representation Accounting...DRIVE SAN JOSE , CA 95129-0000 SUE MCMURRAY LOCKHEED MISSLES & SPACE CO. BLDG. 157, DEPT. 81-63 11 LOCKHEED WAY SUNNYVALE, CA 94089-3504 K.D. MELLOT NASA

Computational Fluids Domain Reduction to a Simplified Fluid Network

DTIC Science & Technology

2012-04-19

readily available read/ write software library. Code components from the open source projects OpenFoam and Paraview were explored for their adaptability...to the project. Both Paraview and OpenFoam read polyhedral mesh. OpenFoam does not read results data. Paraview actually allows for user “filters

What To Do When the Micro Fails.

ERIC Educational Resources Information Center

Corwin, John K.; Sandiford, Janice R.

This brief description of the microcomputer service and maintenance system at Miami Dade Community College/North includes a series of hints, tips, and lists of information sources, suppliers, and regulatory codes that could prove helpful to school districts that wish to conduct on-site repair of computers. These include: (1) cleaning materials…

SCEC Earthquake System Science Using High Performance Computing

NASA Astrophysics Data System (ADS)

Maechling, P. J.; Jordan, T. H.; Archuleta, R.; Beroza, G.; Bielak, J.; Chen, P.; Cui, Y.; Day, S.; Deelman, E.; Graves, R. W.; Minster, J. B.; Olsen, K. B.

2008-12-01

The SCEC Community Modeling Environment (SCEC/CME) collaboration performs basic scientific research using high performance computing with the goal of developing a predictive understanding of earthquake processes and seismic hazards in California. SCEC/CME research areas including dynamic rupture modeling, wave propagation modeling, probabilistic seismic hazard analysis (PSHA), and full 3D tomography. SCEC/CME computational capabilities are organized around the development and application of robust, re- usable, well-validated simulation systems we call computational platforms. The SCEC earthquake system science research program includes a wide range of numerical modeling efforts and we continue to extend our numerical modeling codes to include more realistic physics and to run at higher and higher resolution. During this year, the SCEC/USGS OpenSHA PSHA computational platform was used to calculate PSHA hazard curves and hazard maps using the new UCERF2.0 ERF and new 2008 attenuation relationships. Three SCEC/CME modeling groups ran 1Hz ShakeOut simulations using different codes and computer systems and carefully compared the results. The DynaShake Platform was used to calculate several dynamic rupture-based source descriptions equivalent in magnitude and final surface slip to the ShakeOut 1.2 kinematic source description. A SCEC/CME modeler produced 10Hz synthetic seismograms for the ShakeOut 1.2 scenario rupture by combining 1Hz deterministic simulation results with 10Hz stochastic seismograms. SCEC/CME modelers ran an ensemble of seven ShakeOut-D simulations to investigate the variability of ground motions produced by dynamic rupture-based source descriptions. The CyberShake Platform was used to calculate more than 15 new probabilistic seismic hazard analysis (PSHA) hazard curves using full 3D waveform modeling and the new UCERF2.0 ERF. The SCEC/CME group has also produced significant computer science results this year. Large-scale SCEC/CME high performance codes were run on NSF TeraGrid sites including simulations that use the full PSC Big Ben supercomputer (4096 cores) and simulations that ran on more than 10K cores at TACC Ranger. The SCEC/CME group used scientific workflow tools and grid-computing to run more than 1.5 million jobs at NCSA for the CyberShake project. Visualizations produced by a SCEC/CME researcher of the 10Hz ShakeOut 1.2 scenario simulation data were used by USGS in ShakeOut publications and public outreach efforts. OpenSHA was ported onto an NSF supercomputer and was used to produce very high resolution hazard PSHA maps that contained more than 1.6 million hazard curves.

Neptune: An astrophysical smooth particle hydrodynamics code for massively parallel computer architectures

NASA Astrophysics Data System (ADS)

Sandalski, Stou

Smooth particle hydrodynamics is an efficient method for modeling the dynamics of fluids. It is commonly used to simulate astrophysical processes such as binary mergers. We present a newly developed GPU accelerated smooth particle hydrodynamics code for astrophysical simulations. The code is named neptune after the Roman god of water. It is written in OpenMP parallelized C++ and OpenCL and includes octree based hydrodynamic and gravitational acceleration. The design relies on object-oriented methodologies in order to provide a flexible and modular framework that can be easily extended and modified by the user. Several pre-built scenarios for simulating collisions of polytropes and black-hole accretion are provided. The code is released under the MIT Open Source license and publicly available at http://code.google.com/p/neptune-sph/.

Nuclear Resonance Fluorescence for Materials Assay

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

Quiter, Brian J.; Ludewigt, Bernhard; Mozin, Vladimir

This paper discusses the use of nuclear resonance fluorescence (NRF) techniques for the isotopic and quantitative assaying of radioactive material. Potential applications include age-dating of an unknown radioactive source, pre- and post-detonation nuclear forensics, and safeguards for nuclear fuel cycles Examples of age-dating a strong radioactive source and assaying a spent fuel pin are discussed. The modeling work has ben performed with the Monte Carlo radiation transport computer code MCNPX, and the capability to simulate NRF has bee added to the code. Discussed are the limitations in MCNPX?s photon transport physics for accurately describing photon scattering processes that are importantmore » contributions to the background and impact the applicability of the NRF assay technique.« less

Simulating Hydrologic Flow and Reactive Transport with PFLOTRAN and PETSc on Emerging Fine-Grained Parallel Computer Architectures

NASA Astrophysics Data System (ADS)

Mills, R. T.; Rupp, K.; Smith, B. F.; Brown, J.; Knepley, M.; Zhang, H.; Adams, M.; Hammond, G. E.

2017-12-01

As the high-performance computing community pushes towards the exascale horizon, power and heat considerations have driven the increasing importance and prevalence of fine-grained parallelism in new computer architectures. High-performance computing centers have become increasingly reliant on GPGPU accelerators and "manycore" processors such as the Intel Xeon Phi line, and 512-bit SIMD registers have even been introduced in the latest generation of Intel's mainstream Xeon server processors. The high degree of fine-grained parallelism and more complicated memory hierarchy considerations of such "manycore" processors present several challenges to existing scientific software. Here, we consider how the massively parallel, open-source hydrologic flow and reactive transport code PFLOTRAN - and the underlying Portable, Extensible Toolkit for Scientific Computation (PETSc) library on which it is built - can best take advantage of such architectures. We will discuss some key features of these novel architectures and our code optimizations and algorithmic developments targeted at them, and present experiences drawn from working with a wide range of PFLOTRAN benchmark problems on these architectures.

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

PubMed Central

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

2010-01-01

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

PlasmaPy: initial development of a Python package for plasma physics

NASA Astrophysics Data System (ADS)

Murphy, Nicholas; Leonard, Andrew J.; Stańczak, Dominik; Haggerty, Colby C.; Parashar, Tulasi N.; Huang, Yu-Min; PlasmaPy Community

2017-10-01

We report on initial development of PlasmaPy: an open source community-driven Python package for plasma physics. PlasmaPy seeks to provide core functionality that is needed for the formation of a fully open source Python ecosystem for plasma physics. PlasmaPy prioritizes code readability, consistency, and maintainability while using best practices for scientific computing such as version control, continuous integration testing, embedding documentation in code, and code review. We discuss our current and planned capabilities, including features presently under development. The development roadmap includes features such as fluid and particle simulation capabilities, a Grad-Shafranov solver, a dispersion relation solver, atomic data retrieval methods, and tools to analyze simulations and experiments. We describe several ways to contribute to PlasmaPy. PlasmaPy has a code of conduct and is being developed under a BSD license, with a version 0.1 release planned for 2018. The success of PlasmaPy depends on active community involvement, so anyone interested in contributing to this project should contact the authors. This work was partially supported by the U.S. Department of Energy.

Application of a Java-based, univel geometry, neutral particle Monte Carlo code to the searchlight problem

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

Charles A. Wemple; Joshua J. Cogliati

2005-04-01

A univel geometry, neutral particle Monte Carlo transport code, written entirely in the Java programming language, is under development for medical radiotherapy applications. The code uses ENDF-VI based continuous energy cross section data in a flexible XML format. Full neutron-photon coupling, including detailed photon production and photonuclear reactions, is included. Charged particle equilibrium is assumed within the patient model so that detailed transport of electrons produced by photon interactions may be neglected. External beam and internal distributed source descriptions for mixed neutron-photon sources are allowed. Flux and dose tallies are performed on a univel basis. A four-tap, shift-register-sequence random numbermore » generator is used. Initial verification and validation testing of the basic neutron transport routines is underway. The searchlight problem was chosen as a suitable first application because of the simplicity of the physical model. Results show excellent agreement with analytic solutions. Computation times for similar numbers of histories are comparable to other neutron MC codes written in C and FORTRAN.« less

A soft X-ray source based on a low divergence, high repetition rate ultraviolet laser

NASA Astrophysics Data System (ADS)

Crawford, E. A.; Hoffman, A. L.; Milroy, R. D.; Quimby, D. C.; Albrecht, G. F.

The CORK code is utilized to evaluate the applicability of low divergence ultraviolet lasers for efficient production of soft X-rays. The use of the axial hydrodynamic code wih one ozone radial expansion to estimate radial motion and laser energy is examined. The calculation of ionization levels of the plasma and radiation rates by employing the atomic physics and radiation model included in the CORK code is described. Computations using the hydrodynamic code to determine the effect of laser intensity, spot size, and wavelength on plasma electron temperature are provided. The X-ray conversion efficiencies of the lasers are analyzed. It is observed that for a 1 GW laser power the X-ray conversion efficiency is a function of spot size, only weakly dependent on pulse length for time scales exceeding 100 psec, and better conversion efficiencies are obtained at shorter wavelengths. It is concluded that these small lasers focused to 30 micron spot sizes and 10 to the 14th W/sq cm intensities are useful sources of 1-2 keV radiation.

SU-E-T-278: Realization of Dose Verification Tool for IMRT Plan Based On DPM

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

Cai, Jinfeng; Cao, Ruifen; Dai, Yumei

Purpose: To build a Monte Carlo dose verification tool for IMRT Plan by implementing a irradiation source model into DPM code. Extend the ability of DPM to calculate any incident angles and irregular-inhomogeneous fields. Methods: With the virtual source and the energy spectrum which unfolded from the accelerator measurement data,combined with optimized intensity maps to calculate the dose distribution of the irradiation irregular-inhomogeneous field. The irradiation source model of accelerator was substituted by a grid-based surface source. The contour and the intensity distribution of the surface source were optimized by ARTS (Accurate/Advanced Radiotherapy System) optimization module based on the tumormore » configuration. The weight of the emitter was decided by the grid intensity. The direction of the emitter was decided by the combination of the virtual source and the emitter emitting position. The photon energy spectrum unfolded from the accelerator measurement data was adjusted by compensating the contaminated electron source. For verification, measured data and realistic clinical IMRT plan were compared with DPM dose calculation. Results: The regular field was verified by comparing with the measured data. It was illustrated that the differences were acceptable (<2% inside the field, 2–3mm in the penumbra). The dose calculation of irregular field by DPM simulation was also compared with that of FSPB (Finite Size Pencil Beam) and the passing rate of gamma analysis was 95.1% for peripheral lung cancer. The regular field and the irregular rotational field were all within the range of permitting error. The computing time of regular fields were less than 2h, and the test of peripheral lung cancer was 160min. Through parallel processing, the adapted DPM could complete the calculation of IMRT plan within half an hour. Conclusion: The adapted parallelized DPM code with irradiation source model is faster than classic Monte Carlo codes. Its computational accuracy and speed satisfy the clinical requirement, and it is expectable to be a Monte Carlo dose verification tool for IMRT Plan. Strategic Priority Research Program of the China Academy of Science(XDA03040000); National Natural Science Foundation of China (81101132)« less

Generic effective source for scalar self-force calculations

NASA Astrophysics Data System (ADS)

Wardell, Barry; Vega, Ian; Thornburg, Jonathan; Diener, Peter

2012-05-01

A leading approach to the modeling of extreme mass ratio inspirals involves the treatment of the smaller mass as a point particle and the computation of a regularized self-force acting on that particle. In turn, this computation requires knowledge of the regularized retarded field generated by the particle. A direct calculation of this regularized field may be achieved by replacing the point particle with an effective source and solving directly a wave equation for the regularized field. This has the advantage that all quantities are finite and require no further regularization. In this work, we present a method for computing an effective source which is finite and continuous everywhere, and which is valid for a scalar point particle in arbitrary geodesic motion in an arbitrary background spacetime. We explain in detail various technical and practical considerations that underlie its use in several numerical self-force calculations. We consider as examples the cases of a particle in a circular orbit about Schwarzschild and Kerr black holes, and also the case of a particle following a generic timelike geodesic about a highly spinning Kerr black hole. We provide numerical C code for computing an effective source for various orbital configurations about Schwarzschild and Kerr black holes.

System and method for integrating and accessing multiple data sources within a data warehouse architecture

DOEpatents

Musick, Charles R [Castro Valley, CA; Critchlow, Terence [Livermore, CA; Ganesh, Madhaven [San Jose, CA; Slezak, Tom [Livermore, CA; Fidelis, Krzysztof [Brentwood, CA

2006-12-19

A system and method is disclosed for integrating and accessing multiple data sources within a data warehouse architecture. The metadata formed by the present method provide a way to declaratively present domain specific knowledge, obtained by analyzing data sources, in a consistent and useable way. Four types of information are represented by the metadata: abstract concepts, databases, transformations and mappings. A mediator generator automatically generates data management computer code based on the metadata. The resulting code defines a translation library and a mediator class. The translation library provides a data representation for domain specific knowledge represented in a data warehouse, including "get" and "set" methods for attributes that call transformation methods and derive a value of an attribute if it is missing. The mediator class defines methods that take "distinguished" high-level objects as input and traverse their data structures and enter information into the data warehouse.

"SMART": A Compact and Handy FORTRAN Code for the Physics of Stellar Atmospheres

NASA Astrophysics Data System (ADS)

Sapar, A.; Poolamäe, R.

2003-01-01

A new computer code SMART (Spectra from Model Atmospheres by Radiative Transfer) for computing the stellar spectra, forming in plane-parallel atmospheres, has been compiled by us and A. Aret. To guarantee wide compatibility of the code with shell environment, we chose FORTRAN-77 as programming language and tried to confine ourselves to common part of its numerous versions both in WINDOWS and LINUX. SMART can be used for studies of several processes in stellar atmospheres. The current version of the programme is undergoing rapid changes due to our goal to elaborate a simple, handy and compact code. Instead of linearisation (being a mathematical method of recurrent approximations) we propose to use the physical evolutionary changes or in other words relaxation of quantum state populations rates from LTE to NLTE has been studied using small number of NLTE states. This computational scheme is essentially simpler and more compact than the linearisation. This relaxation scheme enables using instead of the Λ-iteration procedure a physically changing emissivity (or the source function) which incorporates in itself changing Menzel coefficients for NLTE quantum state populations. However, the light scattering on free electrons is in the terms of Feynman graphs a real second-order quantum process and cannot be reduced to consequent processes of absorption and emission as in the case of radiative transfer in spectral lines. With duly chosen input parameters the code SMART enables computing radiative acceleration to the matter of stellar atmosphere in turbulence clumps. This also enables to connect the model atmosphere in more detail with the problem of the stellar wind triggering. Another problem, which has been incorporated into the computer code SMART, is diffusion of chemical elements and their isotopes in the atmospheres of chemically peculiar (CP) stars due to usual radiative acceleration and the essential additional acceleration generated by the light-induced drift. As a special case, using duly chosen pixels on the stellar disk, the spectrum of rotating star can be computed. No instrumental broadening has been incorporated in the code of SMART. To facilitate study of stellar spectra, a GUI (Graphical User Interface) with selection of labels by ions has been compiled to study the spectral lines of different elements and ions in the computed emergent flux. An amazing feature of SMART is that its code is very short: it occupies only 4 two-sided two-column A4 sheets in landscape format. In addition, if well commented, it is quite easily readable and understandable. We have used the tactics of writing the comments on the right-side margin (columns starting from 73). Such short code has been composed widely using the unified input physics (for example the ionisation cross-sections for bound-free transitions and the electron and ion collision rates). As current restriction to the application area of the present version of the SMART is that molecules are since ignored. Thus, it can be used only for luke and hot stellar atmospheres. In the computer code we have tried to avoid bulky often over-optimised methods, primarily meant to spare the time of computations. For instance, we compute the continuous absorption coefficient at every wavelength. Nevertheless, during an hour by the personal computer in our disposal AMD Athlon XP 1700+, 512MB DDRAM) a stellar spectrum with spectral step resolution λ / dλ = 3D100,000 for spectral interval 700 -- 30,000 Å is computed. The model input data and the line data used by us are both the ones computed and compiled by R. Kurucz. In order to follow presence and representability of quantum states and to enumerate them for NLTE studies a C++ code, transforming the needed data to the LATEX version, has been compiled. Thus we have composed a quantum state list for all neutrals and ions in the Kurucz file 'gfhyperall.dat'. The list enables more adequately to compose the concept of super-states, including partly correlating super-states. We are grateful to R. Kurucz for making available by CD-ROMs and Internet his computer codes ATLAS and SYNTHE used by us as a starting point in composing of the new computer code. We are also grateful to Estonian Science Foundation for grant ESF-4701.

A convolutional neural network approach to calibrating the rotation axis for X-ray computed tomography.

PubMed

Yang, Xiaogang; De Carlo, Francesco; Phatak, Charudatta; Gürsoy, Dogˇa

2017-03-01

This paper presents an algorithm to calibrate the center-of-rotation for X-ray tomography by using a machine learning approach, the Convolutional Neural Network (CNN). The algorithm shows excellent accuracy from the evaluation of synthetic data with various noise ratios. It is further validated with experimental data of four different shale samples measured at the Advanced Photon Source and at the Swiss Light Source. The results are as good as those determined by visual inspection and show better robustness than conventional methods. CNN has also great potential for reducing or removing other artifacts caused by instrument instability, detector non-linearity, etc. An open-source toolbox, which integrates the CNN methods described in this paper, is freely available through GitHub at tomography/xlearn and can be easily integrated into existing computational pipelines available at various synchrotron facilities. Source code, documentation and information on how to contribute are also provided.

A power-efficient communication system between brain-implantable devices and external computers.

PubMed

Yao, Ning; Lee, Heung-No; Chang, Cheng-Chun; Sclabassi, Robert J; Sun, Mingui

2007-01-01

In this paper, we propose a power efficient communication system for linking a brain-implantable device to an external system. For battery powered implantable devices, the processor and the transmitter power should be reduced in order to both conserve battery power and reduce the health risks associated with transmission. To accomplish this, a joint source-channel coding/decoding system is devised. Low-density generator matrix (LDGM) codes are used in our system due to their low encoding complexity. The power cost for signal processing within the implantable device is greatly reduced by avoiding explicit source encoding. Raw data which is highly correlated is transmitted. At the receiver, a Markov chain source correlation model is utilized to approximate and capture the correlation of raw data. A turbo iterative receiver algorithm is designed which connects the Markov chain source model to the LDGM decoder in a turbo-iterative way. Simulation results show that the proposed system can save up to 1 to 2.5 dB on transmission power.

TOMO3D: 3-D joint refraction and reflection traveltime tomography parallel code for active-source seismic data—synthetic test

NASA Astrophysics Data System (ADS)

Meléndez, A.; Korenaga, J.; Sallarès, V.; Miniussi, A.; Ranero, C. R.

2015-10-01

We present a new 3-D traveltime tomography code (TOMO3D) for the modelling of active-source seismic data that uses the arrival times of both refracted and reflected seismic phases to derive the velocity distribution and the geometry of reflecting boundaries in the subsurface. This code is based on its popular 2-D version TOMO2D from which it inherited the methods to solve the forward and inverse problems. The traveltime calculations are done using a hybrid ray-tracing technique combining the graph and bending methods. The LSQR algorithm is used to perform the iterative regularized inversion to improve the initial velocity and depth models. In order to cope with an increased computational demand due to the incorporation of the third dimension, the forward problem solver, which takes most of the run time (˜90 per cent in the test presented here), has been parallelized with a combination of multi-processing and message passing interface standards. This parallelization distributes the ray-tracing and traveltime calculations among available computational resources. The code's performance is illustrated with a realistic synthetic example, including a checkerboard anomaly and two reflectors, which simulates the geometry of a subduction zone. The code is designed to invert for a single reflector at a time. A data-driven layer-stripping strategy is proposed for cases involving multiple reflectors, and it is tested for the successive inversion of the two reflectors. Layers are bound by consecutive reflectors, and an initial velocity model for each inversion step incorporates the results from previous steps. This strategy poses simpler inversion problems at each step, allowing the recovery of strong velocity discontinuities that would otherwise be smoothened.

GenomicTools: a computational platform for developing high-throughput analytics in genomics.

PubMed

Tsirigos, Aristotelis; Haiminen, Niina; Bilal, Erhan; Utro, Filippo

2012-01-15

Recent advances in sequencing technology have resulted in the dramatic increase of sequencing data, which, in turn, requires efficient management of computational resources, such as computing time, memory requirements as well as prototyping of computational pipelines. We present GenomicTools, a flexible computational platform, comprising both a command-line set of tools and a C++ API, for the analysis and manipulation of high-throughput sequencing data such as DNA-seq, RNA-seq, ChIP-seq and MethylC-seq. GenomicTools implements a variety of mathematical operations between sets of genomic regions thereby enabling the prototyping of computational pipelines that can address a wide spectrum of tasks ranging from pre-processing and quality control to meta-analyses. Additionally, the GenomicTools platform is designed to analyze large datasets of any size by minimizing memory requirements. In practical applications, where comparable, GenomicTools outperforms existing tools in terms of both time and memory usage. The GenomicTools platform (version 2.0.0) was implemented in C++. The source code, documentation, user manual, example datasets and scripts are available online at http://code.google.com/p/ibm-cbc-genomic-tools.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2007-01-01

Massive black hole (MBH) binaries are found at the centers of most galaxies. MBH mergers trace galaxy mergers and are strong sources of gravitational waves. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities. causing them to crash well before the black hole:, in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This presentation shows how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. Focus is on the recent advances that that reveal these waveforms, and the potential for discoveries that arises when these sources are observed by LIGO and LISA.

Development of an upwind, finite-volume code with finite-rate chemistry

NASA Technical Reports Server (NTRS)

Molvik, Gregory A.

1994-01-01

Under this grant, two numerical algorithms were developed to predict the flow of viscous, hypersonic, chemically reacting gases over three-dimensional bodies. Both algorithms take advantage of the benefits of upwind differencing, total variation diminishing techniques, and a finite-volume framework, but obtain their solution in two separate manners. The first algorithm is a zonal, time-marching scheme, and is generally used to obtain solutions in the subsonic portions of the flow field. The second algorithm is a much less expensive, space-marching scheme and can be used for the computation of the larger, supersonic portion of the flow field. Both codes compute their interface fluxes with a temporal Riemann solver and the resulting schemes are made fully implicit including the chemical source terms and boundary conditions. Strong coupling is used between the fluid dynamic, chemical, and turbulence equations. These codes have been validated on numerous hypersonic test cases and have provided excellent comparison with existing data.

A Software Development Platform for Wearable Medical Applications.

PubMed

Zhang, Ruikai; Lin, Wei

2015-10-01

Wearable medical devices have become a leading trend in healthcare industry. Microcontrollers are computers on a chip with sufficient processing power and preferred embedded computing units in those devices. We have developed a software platform specifically for the design of the wearable medical applications with a small code footprint on the microcontrollers. It is supported by the open source real time operating system FreeRTOS and supplemented with a set of standard APIs for the architectural specific hardware interfaces on the microcontrollers for data acquisition and wireless communication. We modified the tick counter routine in FreeRTOS to include a real time soft clock. When combined with the multitasking features in the FreeRTOS, the platform offers the quick development of wearable applications and easy porting of the application code to different microprocessors. Test results have demonstrated that the application software developed using this platform are highly efficient in CPU usage while maintaining a small code foot print to accommodate the limited memory space in microcontrollers.

Laboratory testing for cytomegalovirus among pregnant women in the United States: a retrospective study using administrative claims data

PubMed Central

2012-01-01

Background Routine cytomegalovirus (CMV) screening during pregnancy is not recommended in the United States and the extent to which it is performed is unknown. Using a medical claims database, we computed rates of CMV-specific testing among pregnant women. Methods We used medical claims from the 2009 Truven Health MarketScan® Commercial databases. We computed CMV-specific testing rates using CPT codes. Results We identified 77,773 pregnant women, of whom 1,668 (2%) had a claim for CMV-specific testing. CMV-specific testing was significantly associated with older age, Northeast or urban residence, and a diagnostic code for mononucleosis. We identified 44 women with a diagnostic code for mononucleosis, of whom 14% had CMV-specific testing. Conclusions Few pregnant women had CMV-specific testing, suggesting that screening for CMV infection during pregnancy is not commonly performed. In the absence of national surveillance for CMV infections during pregnancy, healthcare claims are a potential source for monitoring practices of CMV-specific testing. PMID:23198949

Syndrome-source-coding and its universal generalization. [error correcting codes for data compression

NASA Technical Reports Server (NTRS)

Ancheta, T. C., Jr.

1976-01-01

A method of using error-correcting codes to obtain data compression, called syndrome-source-coding, is described in which the source sequence is treated as an error pattern whose syndrome forms the compressed data. It is shown that syndrome-source-coding can achieve arbitrarily small distortion with the number of compressed digits per source digit arbitrarily close to the entropy of a binary memoryless source. A 'universal' generalization of syndrome-source-coding is formulated which provides robustly effective distortionless coding of source ensembles. Two examples are given, comparing the performance of noiseless universal syndrome-source-coding to (1) run-length coding and (2) Lynch-Davisson-Schalkwijk-Cover universal coding for an ensemble of binary memoryless sources.

Pulse Code Modulation (PCM) data storage and analysis using a microcomputer

NASA Technical Reports Server (NTRS)

Massey, D. E.

1986-01-01

The current widespread use of microcomputers has led to the creation of some very low-cost instrumentation. A Pulse Code Modulation (PCM) storage device/data analyzer -- a peripheral plug-in board especially constructed to enable a personal computer to store and analyze data from a PCM source -- was designed and built for use on the NASA Sounding Rocket Program for PMC encoder configuration and testing. This board and custom-written software turns a computer into a snapshot PCM decommutator which will accept and store many hundreds or thousands of PCM telemetry data frames, then sift through them repeatedly. These data can be converted to any number base and displayed, examined for any bit dropouts or changes (in particular, words or frames), graphically plotted, or statistically analyzed.

Unsteady Flow Interactions Between the LH2 Feed Line and SSME LPFP Inducer

NASA Technical Reports Server (NTRS)

Dorney, Dan; Griffin, Lisa; Marcu, Bogdan; Williams, Morgan

2006-01-01

An extensive computational effort has been performed in order to investigate the nature of unsteady flow in the fuel line supplying the three Space Shuttle Main Engines during flight. Evidence of high cycle fatigue (HCF) in the flow liner one diameter upstream of the Low Pressure Fuel Pump inducer has been observed in several locations. The analysis presented in this report has the objective of determining the driving mechanisms inducing HCF and the associated fluid flow phenomena. The simulations have been performed using two different computational codes, the NASA MSFC PHANTOM code and the Pratt and Whitney Rocketdyne ENIGMA code. The fuel flow through the flow liner and the pump inducer have been modeled in full three-dimensional geometry, and the results of the computations compared with test data taken during hot fire tests at NASA Stennis Space Center, and cold-flow water flow test data obtained at NASA MSFC. The numerical results indicate that unsteady pressure fluctuations at specific frequencies develop in the duct at the flow-liner location. Detailed frequency analysis of the flow disturbances is presented. The unsteadiness is believed to be an important source for fluctuating pressures generating high cycle fatigue.

Evaluation of Proteus as a Tool for the Rapid Development of Models of Hydrologic Systems

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Farthing, M. W.; Kees, C. E.; Miller, C. T.

2013-12-01

Models of modern hydrologic systems can be complex and involve a variety of operators with varying character. The goal is to implement approximations of such models that are both efficient for the developer and computationally efficient, which is a set of naturally competing objectives. Proteus is a Python-based toolbox that supports prototyping of model formulations as well as a wide variety of modern numerical methods and parallel computing. We used Proteus to develop numerical approximations for three models: Richards' equation, a brine flow model derived using the Thermodynamically Constrained Averaging Theory (TCAT), and a multiphase TCAT-based tumor growth model. For Richards' equation, we investigated discontinuous Galerkin solutions with higher order time integration based on the backward difference formulas. The TCAT brine flow model was implemented using Proteus and a variety of numerical methods were compared to hand coded solutions. Finally, an existing tumor growth model was implemented in Proteus to introduce more advanced numerics and allow the code to be run in parallel. From these three example models, Proteus was found to be an attractive open-source option for rapidly developing high quality code for solving existing and evolving computational science models.

External-Compression Supersonic Inlet Design Code

NASA Technical Reports Server (NTRS)

Slater, John W.

2011-01-01

A computer code named SUPIN has been developed to perform aerodynamic design and analysis of external-compression, supersonic inlets. The baseline set of inlets include axisymmetric pitot, two-dimensional single-duct, axisymmetric outward-turning, and two-dimensional bifurcated-duct inlets. The aerodynamic methods are based on low-fidelity analytical and numerical procedures. The geometric methods are based on planar geometry elements. SUPIN has three modes of operation: 1) generate the inlet geometry from a explicit set of geometry information, 2) size and design the inlet geometry and analyze the aerodynamic performance, and 3) compute the aerodynamic performance of a specified inlet geometry. The aerodynamic performance quantities includes inlet flow rates, total pressure recovery, and drag. The geometry output from SUPIN includes inlet dimensions, cross-sectional areas, coordinates of planar profiles, and surface grids suitable for input to grid generators for analysis by computational fluid dynamics (CFD) methods. The input data file for SUPIN and the output file from SUPIN are text (ASCII) files. The surface grid files are output as formatted Plot3D or stereolithography (STL) files. SUPIN executes in batch mode and is available as a Microsoft Windows executable and Fortran95 source code with a makefile for Linux.

Studying Students' Attitudes on Using Examples of Game Source Code for Learning Programming

ERIC Educational Resources Information Center

Theodoraki, Aristea; Xinogalos, Stelios

2014-01-01

Games for learning are currently used in several disciplines for motivating students and enhancing their learning experience. This new approach of technology-enhanced learning has attracted researchers' and instructors' attention in the area of programming that is one of the most cognitively demanding fields in Computer Science. Several…

44 CFR 65.6 - Revision of base flood elevation determinations.

Code of Federal Regulations, 2010 CFR

2010-10-01

... when discharges change as a result of the use of an alternative methodology or data for computing flood... land use regulation. (ii) It must be well-documented including source codes and user's manuals. (iii... projects that may effect map changes when they are completed. (4) The datum and date of releveling of...

DESIGN: a program to create data entry programs

Treesearch

J. Michael Wuerth; David R. Weise

1994-01-01

Scientific data entry can be an exacting process. The specific information needs change from investigation to investigation. A computer program to design custom data screens is described. The program, DESIGN, generates the necessary C programming language source code to create a basic data entry program. Data entry screens can contain multiple nested screens. Users can...

Fan Noise Source Diagnostic Test Computation of Rotor Wake Turbulence Noise

NASA Technical Reports Server (NTRS)

Nallasamy, M.; Envia, E.; Thorp, S. A.; Shabbir, A.

2002-01-01

An important source mechanism of fan broadband noise is the interaction of rotor wake turbulence with the fan outlet guide vanes. A broadband noise model that utilizes computed rotor flow turbulence from a RANS code is used to predict fan broadband noise spectra. The noise model is employed to examine the broadband noise characteristics of the 22-inch Source Diagnostic Test fan rig for which broadband noise data were obtained in wind tunnel tests at the NASA Glenn Research Center. A 9-case matrix of three outlet guide vane configurations at three representative fan tip speeds are considered. For all cases inlet and exhaust acoustic power spectra are computed and compared with the measured spectra where possible. In general, the acoustic power levels and shape of the predicted spectra are in good agreement with the measured data. The predicted spectra show the experimentally observed trends with fan tip speed, vane count, and vane sweep. The results also demonstrate the validity of using CFD-based turbulence information for fan broadband noise calculations.

Instrumentino: An Open-Source Software for Scientific Instruments.

PubMed

Koenka, Israel Joel; Sáiz, Jorge; Hauser, Peter C

2015-01-01

Scientists often need to build dedicated computer-controlled experimental systems. For this purpose, it is becoming common to employ open-source microcontroller platforms, such as the Arduino. These boards and associated integrated software development environments provide affordable yet powerful solutions for the implementation of hardware control of transducers and acquisition of signals from detectors and sensors. It is, however, a challenge to write programs that allow interactive use of such arrangements from a personal computer. This task is particularly complex if some of the included hardware components are connected directly to the computer and not via the microcontroller. A graphical user interface framework, Instrumentino, was therefore developed to allow the creation of control programs for complex systems with minimal programming effort. By writing a single code file, a powerful custom user interface is generated, which enables the automatic running of elaborate operation sequences and observation of acquired experimental data in real time. The framework, which is written in Python, allows extension by users, and is made available as an open source project.

The sound of moving bodies. Ph.D. Thesis - Cambridge Univ.

NASA Technical Reports Server (NTRS)

Brentner, Kenneth Steven

1990-01-01

The importance of the quadrupole source term in the Ffowcs, Williams, and Hawkings (FWH) equation was addressed. The quadrupole source contains fundamental components of the complete fluid mechanics problem, which are ignored only at the risk of error. The results made it clear that any application of the acoustic analogy should begin with all of the source terms in the FWH theory. The direct calculation of the acoustic field as part of the complete unsteady fluid mechanics problem using CFD is considered. It was shown that aeroelastic calculation can indeed be made with CFD codes. The results indicate that the acoustic field is the most susceptible component of the computation to numerical error. Therefore, the ability to measure the damping of acoustic waves is absolutely essential both to develop acoustic computations. Essential groundwork for a new approach to the problem of sound generation by moving bodies is presented. This new computational acoustic approach holds the promise of solving many problems hitherto pushed aside.

A Tutorial on Interfacing the Object Management Group (OMG) Data Distribution Service (DDS) with LabView

NASA Technical Reports Server (NTRS)

Smith, Kevin

2011-01-01

This tutorial will explain the concepts and steps for interfacing a National Instruments LabView virtual instrument (VI) running on a Windows platform with another computer via the Object Management Group (OMG) Data Distribution Service (DDS) as implemented by the Twin Oaks Computing CoreDX. This paper is for educational purposes only and therefore, the referenced source code will be simplistic and void of all error checking. Implementation will be accomplished using the C programming language.

Eddylicious: A Python package for turbulent inflow generation

NASA Astrophysics Data System (ADS)

Mukha, Timofey; Liefvendahl, Mattias

2018-01-01

A Python package for generating inflow for scale-resolving computer simulations of turbulent flow is presented. The purpose of the package is to unite existing inflow generation methods in a single code-base and make them accessible to users of various Computational Fluid Dynamics (CFD) solvers. The currently existing functionality consists of an accurate inflow generation method suitable for flows with a turbulent boundary layer inflow and input/output routines for coupling with the open-source CFD solver OpenFOAM.

Massive Symbolic Mathematical Computations and Their Applications

DTIC Science & Technology

1988-08-16

NUMBER ORGANIZATION (if appi cable) AFOSR I A_ /__ I F49620-87- C -0113 Bc. ADDRESS (City, Stare, and ZIP Code) %. SOURCE OF FUNDING NUMBERS PROGRAM PROJECT...TASK WORK UNIT - < ’/I/ "//ELEMENT NO. NO. NO. ACCESSION NO. /,, AF,; c 9r ;- 6 (4/tL’ " ’ ’! /K’, 11 TITLE (Incoue Secuirty Classification) Massive...DARPA R & D Status Report AFOSR.m. 8 8-1 12Contract No. F49620-87- C -0113 MASSIVE SYMBOLIC MATHEMATICAL COMPUTATIONS AND THEIR APPLICATIONS Quarterly

The Automated Instrumentation and Monitoring System (AIMS): Design and Architecture. 3.2

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Schmidt, Melisa; Schulbach, Cathy; Bailey, David (Technical Monitor)

1997-01-01

Whether a researcher is designing the 'next parallel programming paradigm', another 'scalable multiprocessor' or investigating resource allocation algorithms for multiprocessors, a facility that enables parallel program execution to be captured and displayed is invaluable. Careful analysis of such information can help computer and software architects to capture, and therefore, exploit behavioral variations among/within various parallel programs to take advantage of specific hardware characteristics. A software tool-set that facilitates performance evaluation of parallel applications on multiprocessors has been put together at NASA Ames Research Center under the sponsorship of NASA's High Performance Computing and Communications Program over the past five years. The Automated Instrumentation and Monitoring Systematic has three major software components: a source code instrumentor which automatically inserts active event recorders into program source code before compilation; a run-time performance monitoring library which collects performance data; and a visualization tool-set which reconstructs program execution based on the data collected. Besides being used as a prototype for developing new techniques for instrumenting, monitoring and presenting parallel program execution, AIMS is also being incorporated into the run-time environments of various hardware testbeds to evaluate their impact on user productivity. Currently, the execution of FORTRAN and C programs on the Intel Paragon and PALM workstations can be automatically instrumented and monitored. Performance data thus collected can be displayed graphically on various workstations. The process of performance tuning with AIMS will be illustrated using various NAB Parallel Benchmarks. This report includes a description of the internal architecture of AIMS and a listing of the source code.

SPAMCART: a code for smoothed particle Monte Carlo radiative transfer

NASA Astrophysics Data System (ADS)

Lomax, O.; Whitworth, A. P.

2016-10-01

We present a code for generating synthetic spectral energy distributions and intensity maps from smoothed particle hydrodynamics simulation snapshots. The code is based on the Lucy Monte Carlo radiative transfer method, I.e. it follows discrete luminosity packets as they propagate through a density field, and then uses their trajectories to compute the radiative equilibrium temperature of the ambient dust. The sources can be extended and/or embedded, and discrete and/or diffuse. The density is not mapped on to a grid, and therefore the calculation is performed at exactly the same resolution as the hydrodynamics. We present two example calculations using this method. First, we demonstrate that the code strictly adheres to Kirchhoff's law of radiation. Secondly, we present synthetic intensity maps and spectra of an embedded protostellar multiple system. The algorithm uses data structures that are already constructed for other purposes in modern particle codes. It is therefore relatively simple to implement.

BioNetFit: a fitting tool compatible with BioNetGen, NFsim and distributed computing environments

PubMed Central

Thomas, Brandon R.; Chylek, Lily A.; Colvin, Joshua; Sirimulla, Suman; Clayton, Andrew H.A.; Hlavacek, William S.; Posner, Richard G.

2016-01-01

Summary: Rule-based models are analyzed with specialized simulators, such as those provided by the BioNetGen and NFsim open-source software packages. Here, we present BioNetFit, a general-purpose fitting tool that is compatible with BioNetGen and NFsim. BioNetFit is designed to take advantage of distributed computing resources. This feature facilitates fitting (i.e. optimization of parameter values for consistency with data) when simulations are computationally expensive. Availability and implementation: BioNetFit can be used on stand-alone Mac, Windows/Cygwin, and Linux platforms and on Linux-based clusters running SLURM, Torque/PBS, or SGE. The BioNetFit source code (Perl) is freely available (http://bionetfit.nau.edu). Supplementary information: Supplementary data are available at Bioinformatics online. Contact: bionetgen.help@gmail.com PMID:26556387

Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

USGS Publications Warehouse

Wexler, Eliezer J.

1992-01-01

Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems having uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of selected solutions, source codes for the computer programs, and samples of program input and output also are included.

Matrix factorization-based data fusion for the prediction of lncRNA-disease associations.

PubMed

Fu, Guangyuan; Wang, Jun; Domeniconi, Carlotta; Yu, Guoxian

2018-05-01

Long non-coding RNAs (lncRNAs) play crucial roles in complex disease diagnosis, prognosis, prevention and treatment, but only a small portion of lncRNA-disease associations have been experimentally verified. Various computational models have been proposed to identify lncRNA-disease associations by integrating heterogeneous data sources. However, existing models generally ignore the intrinsic structure of data sources or treat them as equally relevant, while they may not be. To accurately identify lncRNA-disease associations, we propose a Matrix Factorization based LncRNA-Disease Association prediction model (MFLDA in short). MFLDA decomposes data matrices of heterogeneous data sources into low-rank matrices via matrix tri-factorization to explore and exploit their intrinsic and shared structure. MFLDA can select and integrate the data sources by assigning different weights to them. An iterative solution is further introduced to simultaneously optimize the weights and low-rank matrices. Next, MFLDA uses the optimized low-rank matrices to reconstruct the lncRNA-disease association matrix and thus to identify potential associations. In 5-fold cross validation experiments to identify verified lncRNA-disease associations, MFLDA achieves an area under the receiver operating characteristic curve (AUC) of 0.7408, at least 3% higher than those given by state-of-the-art data fusion based computational models. An empirical study on identifying masked lncRNA-disease associations again shows that MFLDA can identify potential associations more accurately than competing models. A case study on identifying lncRNAs associated with breast, lung and stomach cancers show that 38 out of 45 (84%) associations predicted by MFLDA are supported by recent biomedical literature and further proves the capability of MFLDA in identifying novel lncRNA-disease associations. MFLDA is a general data fusion framework, and as such it can be adopted to predict associations between other biological entities. The source code for MFLDA is available at: http://mlda.swu.edu.cn/codes.php? name = MFLDA. gxyu@swu.edu.cn. Supplementary data are available at Bioinformatics online.

Benchmark problems in computational aeroacoustics

NASA Technical Reports Server (NTRS)

Porter-Locklear, Freda

1994-01-01

A recent directive at NASA Langley is aimed at numerically predicting principal noise sources. During my summer stay, I worked with high-order ENO code, developed by Dr. Harold Atkins, for solving the unsteady compressible Navier-Stokes equations, as it applies to computational aeroacoustics (CAA). A CAA workshop, composed of six categories of benchmark problems, has been organized to test various numerical properties of code. My task was to determine the robustness of Atkins' code for these test problems. In one category, we tested the nonlinear wave propagation of the code for the one-dimensional Euler equations, with initial pressure, density, and velocity conditions. Using freestream boundary conditions, our results were plausible. In another category, we solved the linearized two-dimensional Euler equations to test the effectiveness of radiation boundary conditions. Here we utilized MAPLE to compute eigenvalues and eigenvectors of the Jacobian given variable and flux vectors. We experienced a minor problem with inflow and outflow boundary conditions. Next, we solved the quasi one dimensional unsteady flow equations with an incoming acoustic wave of amplitude 10(exp -6). The small amplitude sound wave was incident on a convergent-divergent nozzle. After finding a steady-state solution and then marching forward, our solution indicated that after 30 periods the acoustic wave had dissipated (a period is time required for sound wave to traverse one end of nozzle to other end).

Final Technical Report for SBIR entitled Four-Dimensional Finite-Orbit-Width Fokker-Planck Code with Sources, for Neoclassical/Anomalous Transport Simulation of Ion and Electron Distributions

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

Harvey, R. W.; Petrov, Yu. V.

2013-12-03

Within the US Department of Energy/Office of Fusion Energy magnetic fusion research program, there is an important whole-plasma-modeling need for a radio-frequency/neutral-beam-injection (RF/NBI) transport-oriented finite-difference Fokker-Planck (FP) code with combined capabilities for 4D (2R2V) geometry near the fusion plasma periphery, and computationally less demanding 3D (1R2V) bounce-averaged capabilities for plasma in the core of fusion devices. Demonstration of proof-of-principle achievement of this goal has been carried out in research carried out under Phase I of the SBIR award. Two DOE-sponsored codes, the CQL3D bounce-average Fokker-Planck code in which CompX has specialized, and the COGENT 4D, plasma edge-oriented Fokker-Planck code whichmore » has been constructed by Lawrence Livermore National Laboratory and Lawrence Berkeley Laboratory scientists, where coupled. Coupling was achieved by using CQL3D calculated velocity distributions including an energetic tail resulting from NBI, as boundary conditions for the COGENT code over the two-dimensional velocity space on a spatial interface (flux) surface at a given radius near the plasma periphery. The finite-orbit-width fast ions from the CQL3D distributions penetrated into the peripheral plasma modeled by the COGENT code. This combined code demonstrates the feasibility of the proposed 3D/4D code. By combining these codes, the greatest computational efficiency is achieved subject to present modeling needs in toroidally symmetric magnetic fusion devices. The more efficient 3D code can be used in its regions of applicability, coupled to the more computationally demanding 4D code in higher collisionality edge plasma regions where that extended capability is necessary for accurate representation of the plasma. More efficient code leads to greater use and utility of the model. An ancillary aim of the project is to make the combined 3D/4D code user friendly. Achievement of full-coupling of these two Fokker-Planck codes will advance computational modeling of plasma devices important to the USDOE magnetic fusion energy program, in particular the DIII-D tokamak at General Atomics, San Diego, the NSTX spherical tokamak at Princeton, New Jersey, and the MST reversed-field-pinch Madison, Wisconsin. The validation studies of the code against the experiments will improve understanding of physics important for magnetic fusion, and will increase our design capabilities for achieving the goals of the International Tokamak Experimental Reactor (ITER) project in which the US is a participant and which seeks to demonstrate at least a factor of five in fusion power production divided by input power.« less

U.S. Seismic Design Maps Web Application

NASA Astrophysics Data System (ADS)

Martinez, E.; Fee, J.

2015-12-01

The application computes earthquake ground motion design parameters compatible with the International Building Code and other seismic design provisions. It is the primary method for design engineers to obtain ground motion parameters for multiple building codes across the country. When designing new buildings and other structures, engineers around the country use the application. Users specify the design code of interest, location, and other parameters to obtain necessary ground motion information consisting of a high-level executive summary as well as detailed information including maps, data, and graphs. Results are formatted such that they can be directly included in a final engineering report. In addition to single-site analysis, the application supports a batch mode for simultaneous consideration of multiple locations. Finally, an application programming interface (API) is available which allows other application developers to integrate this application's results into larger applications for additional processing. Development on the application has proceeded in an iterative manner working with engineers through email, meetings, and workshops. Each iteration provided new features, improved performance, and usability enhancements. This development approach positioned the application to be integral to the structural design process and is now used to produce over 1800 reports daily. Recent efforts have enhanced the application to be a data-driven, mobile-first, responsive web application. Development is ongoing, and source code has recently been published into the open-source community on GitHub. Open-sourcing the code facilitates improved incorporation of user feedback to add new features ensuring the application's continued success.

Analysis of reaction cross-section production in neutron induced fission reactions on uranium isotope using computer code COMPLET.

PubMed

Asres, Yihunie Hibstie; Mathuthu, Manny; Birhane, Marelgn Derso

2018-04-22

This study provides current evidence about cross-section production processes in the theoretical and experimental results of neutron induced reaction of uranium isotope on projectile energy range of 1-100 MeV in order to improve the reliability of nuclear stimulation. In such fission reactions of 235 U within nuclear reactors, much amount of energy would be released as a product that able to satisfy the needs of energy to the world wide without polluting processes as compared to other sources. The main objective of this work is to transform a related knowledge in the neutron-induced fission reactions on 235 U through describing, analyzing and interpreting the theoretical results of the cross sections obtained from computer code COMPLET by comparing with the experimental data obtained from EXFOR. The cross section value of 235 U(n,2n) 234 U, 235 U(n,3n) 233 U, 235 U(n,γ) 236 U, 235 U(n,f) are obtained using computer code COMPLET and the corresponding experimental values were browsed by EXFOR, IAEA. The theoretical results are compared with the experimental data taken from EXFOR Data Bank. Computer code COMPLET has been used for the analysis with the same set of input parameters and the graphs were plotted by the help of spreadsheet & Origin-8 software. The quantification of uncertainties stemming from both experimental data and computer code calculation plays a significant role in the final evaluated results. The calculated results for total cross sections were compared with the experimental data taken from EXFOR in the literature, and good agreement was found between the experimental and theoretical data. This comparison of the calculated data was analyzed and interpreted with tabulation and graphical descriptions, and the results were briefly discussed within the text of this research work. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Inverse identification of unknown finite-duration air pollutant release from a point source in urban environment

NASA Astrophysics Data System (ADS)

Kovalets, Ivan V.; Efthimiou, George C.; Andronopoulos, Spyros; Venetsanos, Alexander G.; Argyropoulos, Christos D.; Kakosimos, Konstantinos E.

2018-05-01

In this work, we present an inverse computational method for the identification of the location, start time, duration and quantity of emitted substance of an unknown air pollution source of finite time duration in an urban environment. We considered a problem of transient pollutant dispersion under stationary meteorological fields, which is a reasonable assumption for the assimilation of available concentration measurements within 1 h from the start of an incident. We optimized the calculation of the source-receptor function by developing a method which requires integrating as many backward adjoint equations as the available measurement stations. This resulted in high numerical efficiency of the method. The source parameters are computed by maximizing the correlation function of the simulated and observed concentrations. The method has been integrated into the CFD code ADREA-HF and it has been tested successfully by performing a series of source inversion runs using the data of 200 individual realizations of puff releases, previously generated in a wind tunnel experiment.

Modularized seismic full waveform inversion based on waveform sensitivity kernels - The software package ASKI

NASA Astrophysics Data System (ADS)

Schumacher, Florian; Friederich, Wolfgang; Lamara, Samir; Gutt, Phillip; Paffrath, Marcel

2015-04-01

We present a seismic full waveform inversion concept for applications ranging from seismological to enineering contexts, based on sensitivity kernels for full waveforms. The kernels are derived from Born scattering theory as the Fréchet derivatives of linearized frequency-domain full waveform data functionals, quantifying the influence of elastic earth model parameters and density on the data values. For a specific source-receiver combination, the kernel is computed from the displacement and strain field spectrum originating from the source evaluated throughout the inversion domain, as well as the Green function spectrum and its strains originating from the receiver. By storing the wavefield spectra of specific sources/receivers, they can be re-used for kernel computation for different specific source-receiver combinations, optimizing the total number of required forward simulations. In the iterative inversion procedure, the solution of the forward problem, the computation of sensitivity kernels and the derivation of a model update is held completely separate. In particular, the model description for the forward problem and the description of the inverted model update are kept independent. Hence, the resolution of the inverted model as well as the complexity of solving the forward problem can be iteratively increased (with increasing frequency content of the inverted data subset). This may regularize the overall inverse problem and optimizes the computational effort of both, solving the forward problem and computing the model update. The required interconnection of arbitrary unstructured volume and point grids is realized by generalized high-order integration rules and 3D-unstructured interpolation methods. The model update is inferred solving a minimization problem in a least-squares sense, resulting in Gauss-Newton convergence of the overall inversion process. The inversion method was implemented in the modularized software package ASKI (Analysis of Sensitivity and Kernel Inversion), which provides a generalized interface to arbitrary external forward modelling codes. So far, the 3D spectral-element code SPECFEM3D (Tromp, Komatitsch and Liu, 2008) and the 1D semi-analytical code GEMINI (Friederich and Dalkolmo, 1995) in both, Cartesian and spherical framework are supported. The creation of interfaces to further forward codes is planned in the near future. ASKI is freely available under the terms of the GPL at www.rub.de/aski . Since the independent modules of ASKI must communicate via file output/input, large storage capacities need to be accessible conveniently. Storing the complete sensitivity matrix to file, however, permits the scientist full manual control over each step in a customized procedure of sensitivity/resolution analysis and full waveform inversion. In the presentation, we will show some aspects of the theory behind the full waveform inversion method and its practical realization by the software package ASKI, as well as synthetic and real-data applications from different scales and geometries.

PACER -- A fast running computer code for the calculation of short-term containment/confinement loads following coolant boundary failure. Volume 2: User information

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

Sienicki, J.J.

A fast running and simple computer code has been developed to calculate pressure loadings inside light water reactor containments/confinements under loss-of-coolant accident conditions. PACER was originally developed to calculate containment/confinement pressure and temperature time histories for loss-of-coolant accidents in Soviet-designed VVER reactors and is relevant to the activities of the US International Nuclear Safety Center. The code employs a multicompartment representation of the containment volume and is focused upon application to early time containment phenomena during and immediately following blowdown. PACER has been developed for FORTRAN 77 and earlier versions of FORTRAN. The code has been successfully compiled and executedmore » on SUN SPARC and Hewlett-Packard HP-735 workstations provided that appropriate compiler options are specified. The code incorporates both capabilities built around a hardwired default generic VVER-440 Model V230 design as well as fairly general user-defined input. However, array dimensions are hardwired and must be changed by modifying the source code if the number of compartments/cells differs from the default number of nine. Detailed input instructions are provided as well as a description of outputs. Input files and selected output are presented for two sample problems run on both HP-735 and SUN SPARC workstations.« less

Enabling Data Intensive Science through Service Oriented Science: Virtual Laboratories and Science Gateways

NASA Astrophysics Data System (ADS)

Lescinsky, D. T.; Wyborn, L. A.; Evans, B. J. K.; Allen, C.; Fraser, R.; Rankine, T.

2014-12-01

We present collaborative work on a generic, modular infrastructure for virtual laboratories (VLs, similar to science gateways) that combine online access to data, scientific code, and computing resources as services that support multiple data intensive scientific computing needs across a wide range of science disciplines. We are leveraging access to 10+ PB of earth science data on Lustre filesystems at Australia's National Computational Infrastructure (NCI) Research Data Storage Infrastructure (RDSI) node, co-located with NCI's 1.2 PFlop Raijin supercomputer and a 3000 CPU core research cloud. The development, maintenance and sustainability of VLs is best accomplished through modularisation and standardisation of interfaces between components. Our approach has been to break up tightly-coupled, specialised application packages into modules, with identified best techniques and algorithms repackaged either as data services or scientific tools that are accessible across domains. The data services can be used to manipulate, visualise and transform multiple data types whilst the scientific tools can be used in concert with multiple scientific codes. We are currently designing a scalable generic infrastructure that will handle scientific code as modularised services and thereby enable the rapid/easy deployment of new codes or versions of codes. The goal is to build open source libraries/collections of scientific tools, scripts and modelling codes that can be combined in specially designed deployments. Additional services in development include: provenance, publication of results, monitoring, workflow tools, etc. The generic VL infrastructure will be hosted at NCI, but can access alternative computing infrastructures (i.e., public/private cloud, HPC).The Virtual Geophysics Laboratory (VGL) was developed as a pilot project to demonstrate the underlying technology. This base is now being redesigned and generalised to develop a Virtual Hazards Impact and Risk Laboratory (VHIRL); any enhancements and new capabilities will be incorporated into a generic VL infrastructure. At same time, we are scoping seven new VLs and in the process, identifying other common components to prioritise and focus development.

Parallel community climate model: Description and user`s guide

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

Drake, J.B.; Flanery, R.E.; Semeraro, B.D.

This report gives an overview of a parallel version of the NCAR Community Climate Model, CCM2, implemented for MIMD massively parallel computers using a message-passing programming paradigm. The parallel implementation was developed on an Intel iPSC/860 with 128 processors and on the Intel Delta with 512 processors, and the initial target platform for the production version of the code is the Intel Paragon with 2048 processors. Because the implementation uses a standard, portable message-passing libraries, the code has been easily ported to other multiprocessors supporting a message-passing programming paradigm. The parallelization strategy used is to decompose the problem domain intomore » geographical patches and assign each processor the computation associated with a distinct subset of the patches. With this decomposition, the physics calculations involve only grid points and data local to a processor and are performed in parallel. Using parallel algorithms developed for the semi-Lagrangian transport, the fast Fourier transform and the Legendre transform, both physics and dynamics are computed in parallel with minimal data movement and modest change to the original CCM2 source code. Sequential or parallel history tapes are written and input files (in history tape format) are read sequentially by the parallel code to promote compatibility with production use of the model on other computer systems. A validation exercise has been performed with the parallel code and is detailed along with some performance numbers on the Intel Paragon and the IBM SP2. A discussion of reproducibility of results is included. A user`s guide for the PCCM2 version 2.1 on the various parallel machines completes the report. Procedures for compilation, setup and execution are given. A discussion of code internals is included for those who may wish to modify and use the program in their own research.« less

Branson: A Mini-App for Studying Parallel IMC, Version 1.0

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

Long, Alex

This code solves the gray thermal radiative transfer (TRT) equations in parallel using simple opacities and Cartesian meshes. Although Branson solves the TRT equations it is not designed to model radiation transport: Branson contains simple physics and does not have a multigroup treatment, nor can it use physical material data. The opacities have are simple polynomials in temperature there is a limited ability to specify complex geometries and sources. Branson was designed only to capture the computational demands of production IMC codes, especially in large parallel runs. It was also intended to foster collaboration with vendors, universities and other DOEmore » partners. Branson is similar in character to the neutron transport proxy-app Quicksilver from LLNL, which was recently open-sourced.« less

Advanced capabilities for materials modelling with Quantum ESPRESSO

NASA Astrophysics Data System (ADS)

Giannozzi, P.; Andreussi, O.; Brumme, T.; Bunau, O.; Buongiorno Nardelli, M.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Cococcioni, M.; Colonna, N.; Carnimeo, I.; Dal Corso, A.; de Gironcoli, S.; Delugas, P.; DiStasio, R. A., Jr.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H.-Y.; Kokalj, A.; Küçükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H.-V.; Otero-de-la-Roza, A.; Paulatto, L.; Poncé, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.

2017-11-01

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

PubMed

Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, I; Dal Corso, A; de Gironcoli, S; Delugas, P; DiStasio, R A; Ferretti, A; Floris, A; Fratesi, G; Fugallo, G; Gebauer, R; Gerstmann, U; Giustino, F; Gorni, T; Jia, J; Kawamura, M; Ko, H-Y; Kokalj, A; Küçükbenli, E; Lazzeri, M; Marsili, M; Marzari, N; Mauri, F; Nguyen, N L; Nguyen, H-V; Otero-de-la-Roza, A; Paulatto, L; Poncé, S; Rocca, D; Sabatini, R; Santra, B; Schlipf, M; Seitsonen, A P; Smogunov, A; Timrov, I; Thonhauser, T; Umari, P; Vast, N; Wu, X; Baroni, S

2017-10-24

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

Advanced capabilities for materials modelling with Quantum ESPRESSO.

PubMed

Andreussi, Oliviero; Brumme, Thomas; Bunau, Oana; Buongiorno Nardelli, Marco; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Cococcioni, Matteo; Colonna, Nicola; Carnimeo, Ivan; Dal Corso, Andrea; de Gironcoli, Stefano; Delugas, Pietro; DiStasio, Robert; Ferretti, Andrea; Floris, Andrea; Fratesi, Guido; Fugallo, Giorgia; Gebauer, Ralph; Gerstmann, Uwe; Giustino, Feliciano; Gorni, Tommaso; Jia, Junteng; Kawamura, Mitsuaki; Ko, Hsin-Yu; Kokalj, Anton; Küçükbenli, Emine; Lazzeri, Michele; Marsili, Margherita; Marzari, Nicola; Mauri, Francesco; Nguyen, Ngoc Linh; Nguyen, Huy-Viet; Otero-de-la-Roza, Alberto; Paulatto, Lorenzo; Poncé, Samuel; Giannozzi, Paolo; Rocca, Dario; Sabatini, Riccardo; Santra, Biswajit; Schlipf, Martin; Seitsonen, Ari Paavo; Smogunov, Alexander; Timrov, Iurii; Thonhauser, Timo; Umari, Paolo; Vast, Nathalie; Wu, Xifan; Baroni, Stefano

2017-09-27

Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement theirs ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software. © 2017 IOP Publishing Ltd.

A Comparison of Source Code Plagiarism Detection Engines

NASA Astrophysics Data System (ADS)

Lancaster, Thomas; Culwin, Fintan

2004-06-01

Automated techniques for finding plagiarism in student source code submissions have been in use for over 20 years and there are many available engines and services. This paper reviews the literature on the major modern detection engines, providing a comparison of them based upon the metrics and techniques they deploy. Generally the most common and effective techniques are seen to involve tokenising student submissions then searching pairs of submissions for long common substrings, an example of what is defined to be a paired structural metric. Computing academics are recommended to use one of the two Web-based detection engines, MOSS and JPlag. It is shown that whilst detection is well established there are still places where further research would be useful, particularly where visual support of the investigation process is possible.

Computer program CDCID: an automated quality control program using CDC update

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

Singer, G.L.; Aguilar, F.

1984-04-01

A computer program, CDCID, has been developed in coordination with a quality control program to provide a highly automated method of documenting changes to computer codes at EG and G Idaho, Inc. The method uses the standard CDC UPDATE program in such a manner that updates and their associated documentation are easily made and retrieved in various formats. The method allows each card image of a source program to point to the document which describes it, who created the card, and when it was created. The method described is applicable to the quality control of computer programs in general. Themore » computer program described is executable only on CDC computing systems, but the program could be modified and applied to any computing system with an adequate updating program.« less

Combining Open-Source Packages for Planetary Exploration

NASA Astrophysics Data System (ADS)

Schmidt, Albrecht; Grieger, Björn; Völk, Stefan

2015-04-01

The science planning of the ESA Rosetta mission has presented challenges which were addressed with combining various open-source software packages, such as the SPICE toolkit, the Python language and the Web graphics library three.js. The challenge was to compute certain parameters from a pool of trajectories and (possible) attitudes to describe the behaviour of the spacecraft. To be able to do this declaratively and efficiently, a C library was implemented that allows to interface the SPICE toolkit for geometrical computations from the Python language and process as much data as possible during one subroutine call. To minimise the lines of code one has to write special care was taken to ensure that the bindings were idiomatic and thus integrate well into the Python language and ecosystem. When done well, this very much simplifies the structure of the code and facilitates the testing for correctness by automatic test suites and visual inspections. For rapid visualisation and confirmation of correctness of results, the geometries were visualised with the three.js library, a popular Javascript library for displaying three-dimensional graphics in a Web browser. Programmatically, this was achieved by generating data files from SPICE sources that were included into templated HTML and displayed by a browser, thus made easily accessible to interested parties at large. As feedback came and new ideas were to be explored, the authors benefited greatly from the design of the Python-to-SPICE library which allowed the expression of algorithms to be concise and easier to communicate. In summary, by combining several well-established open-source tools, we were able to put together a flexible computation and visualisation environment that helped communicate and build confidence in planning ideas.

Computational Analysis of a Chevron Nozzle Uniquely Tailored for Propulsion Airframe Aeroacoustics

NASA Technical Reports Server (NTRS)

Massey, Steven J.; Elmiligui, Alaa A.; Hunter, Craig A.; Thomas, Russell H.; Pao, S. Paul; Mengle, Vinod G.

2006-01-01

A computational flow field and predicted jet noise source analysis is presented for asymmetrical fan chevrons on a modern separate flow nozzle at take off conditions. The propulsion airframe aeroacoustic asymmetric fan nozzle is designed with an azimuthally varying chevron pattern with longer chevrons close to the pylon. A baseline round nozzle without chevrons and a reference nozzle with azimuthally uniform chevrons are also studied. The intent of the asymmetric fan chevron nozzle was to improve the noise reduction potential by creating a favorable propulsion airframe aeroacoustic interaction effect between the pylon and chevron nozzle. This favorable interaction and improved noise reduction was observed in model scale tests and flight test data and has been reported in other studies. The goal of this study was to identify the fundamental flow and noise source mechanisms. The flow simulation uses the asymptotically steady, compressible Reynolds averaged Navier-Stokes equations on a structured grid. Flow computations are performed using the parallel, multi-block, structured grid code PAB3D. Local noise sources were mapped and integrated computationally using the Jet3D code based upon the Lighthill Acoustic Analogy with anisotropic Reynolds stress modeling. In this study, trends of noise reduction were correctly predicted. Jet3D was also utilized to produce noise source maps that were then correlated to local flow features. The flow studies show that asymmetry of the longer fan chevrons near the pylon work to reduce the strength of the secondary flow induced by the pylon itself, such that the asymmetric merging of the fan and core shear layers is significantly delayed. The effect is to reduce the peak turbulence kinetic energy and shift it downstream, reducing overall noise production. This combined flow and noise prediction approach has yielded considerable understanding of the physics of a fan chevron nozzle designed to include propulsion airframe aeroacoustic interaction effects.

Source Stacking for Numerical Wavefield Computations - Application to Global Scale Seismic Mantle Tomography

NASA Astrophysics Data System (ADS)

MacLean, L. S.; Romanowicz, B. A.; French, S.

2015-12-01

Seismic wavefield computations using the Spectral Element Method are now regularly used to recover tomographic images of the upper mantle and crust at the local, regional, and global scales (e.g. Fichtner et al., GJI, 2009; Tape et al., Science 2010; Lekic and Romanowicz, GJI, 2011; French and Romanowicz, GJI, 2014). However, the heaviness of the computations remains a challenge, and contributes to limiting the resolution of the produced images. Using source stacking, as suggested by Capdeville et al. (GJI,2005), can considerably speed up the process by reducing the wavefield computations to only one per each set of N sources. This method was demonstrated through synthetic tests on low frequency datasets, and therefore should work for global mantle tomography. However, the large amplitudes of surface waves dominates the stacked seismograms and these cases can no longer be separated by windowing in the time domain. We have developed a processing approach that helps address this issue and demonstrate its usefulness through a series of synthetic tests performed at long periods (T >60 s) on toy upper mantle models. The summed synthetics are computed using the CSEM code (Capdeville et al., 2002). As for the inverse part of the procedure, we use a quasi-Newton method, computing Frechet derivatives and Hessian using normal mode perturbation theory.

Predicting materials for sustainable energy sources: The key role of density functional theory

NASA Astrophysics Data System (ADS)

Galli, Giulia

Climate change and the related need for sustainable energy sources replacing fossil fuels are pressing societal problems. The development of advanced materials is widely recognized as one of the key elements for new technologies that are required to achieve a sustainable environment and provide clean and adequate energy for our planet. We discuss the key role played by Density Functional Theory, and its implementations in high performance computer codes, in understanding, predicting and designing materials for energy applications.

Finite-Length Line Source Superposition Model (FLLSSM)

NASA Astrophysics Data System (ADS)

1980-03-01

A linearized thermal conduction model was developed to economically determine media temperatures in geologic repositories for nuclear wastes. Individual canisters containing either high level waste or spent fuel assemblies were represented as finite length line sources in a continuous media. The combined effects of multiple canisters in a representative storage pattern were established at selected points of interest by superposition of the temperature rises calculated for each canister. The methodology is outlined and the computer code FLLSSM which performs required numerical integrations and superposition operations is described.

Results of comparative RBMK neutron computation using VNIIEF codes (cell computation, 3D statics, 3D kinetics). Final report

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

Grebennikov, A.N.; Zhitnik, A.K.; Zvenigorodskaya, O.A.

1995-12-31

In conformity with the protocol of the Workshop under Contract {open_quotes}Assessment of RBMK reactor safety using modern Western Codes{close_quotes} VNIIEF performed a neutronics computation series to compare western and VNIIEF codes and assess whether VNIIEF codes are suitable for RBMK type reactor safety assessment computation. The work was carried out in close collaboration with M.I. Rozhdestvensky and L.M. Podlazov, NIKIET employees. The effort involved: (1) cell computations with the WIMS, EKRAN codes (improved modification of the LOMA code) and the S-90 code (VNIIEF Monte Carlo). Cell, polycell, burnup computation; (2) 3D computation of static states with the KORAT-3D and NEUmore » codes and comparison with results of computation with the NESTLE code (USA). The computations were performed in the geometry and using the neutron constants presented by the American party; (3) 3D computation of neutron kinetics with the KORAT-3D and NEU codes. These computations were performed in two formulations, both being developed in collaboration with NIKIET. Formulation of the first problem maximally possibly agrees with one of NESTLE problems and imitates gas bubble travel through a core. The second problem is a model of the RBMK as a whole with imitation of control and protection system controls (CPS) movement in a core.« less

FORCE2: A state-of-the-art two-phase code for hydrodynamic calculations

NASA Astrophysics Data System (ADS)

Ding, Jianmin; Lyczkowski, R. W.; Burge, S. W.

1993-02-01

A three-dimensional computer code for two-phase flow named FORCE2 has been developed by Babcock and Wilcox (B & W) in close collaboration with Argonne National Laboratory (ANL). FORCE2 is capable of both transient as well as steady-state simulations. This Cartesian coordinates computer program is a finite control volume, industrial grade and quality embodiment of the pilot-scale FLUFIX/MOD2 code and contains features such as three-dimensional blockages, volume and surface porosities to account for various obstructions in the flow field, and distributed resistance modeling to account for pressure drops caused by baffles, distributor plates and large tube banks. Recently computed results demonstrated the significance of and necessity for three-dimensional models of hydrodynamics and erosion. This paper describes the process whereby ANL's pilot-scale FLUFIX/MOD2 models and numerics were implemented into FORCE2. A description of the quality control to assess the accuracy of the new code and the validation using some of the measured data from Illinois Institute of Technology (UT) and the University of Illinois at Urbana-Champaign (UIUC) are given. It is envisioned that one day, FORCE2 with additional modules such as radiation heat transfer, combustion kinetics and multi-solids together with user-friendly pre- and post-processor software and tailored for massively parallel multiprocessor shared memory computational platforms will be used by industry and researchers to assist in reducing and/or eliminating the environmental and economic barriers which limit full consideration of coal, shale and biomass as energy sources, to retain energy security, and to remediate waste and ecological problems.

SOCR Analyses – an Instructional Java Web-based Statistical Analysis Toolkit

PubMed Central

Chu, Annie; Cui, Jenny; Dinov, Ivo D.

2011-01-01

The Statistical Online Computational Resource (SOCR) designs web-based tools for educational use in a variety of undergraduate courses (Dinov 2006). Several studies have demonstrated that these resources significantly improve students' motivation and learning experiences (Dinov et al. 2008). SOCR Analyses is a new component that concentrates on data modeling and analysis using parametric and non-parametric techniques supported with graphical model diagnostics. Currently implemented analyses include commonly used models in undergraduate statistics courses like linear models (Simple Linear Regression, Multiple Linear Regression, One-Way and Two-Way ANOVA). In addition, we implemented tests for sample comparisons, such as t-test in the parametric category; and Wilcoxon rank sum test, Kruskal-Wallis test, Friedman's test, in the non-parametric category. SOCR Analyses also include several hypothesis test models, such as Contingency tables, Friedman's test and Fisher's exact test. The code itself is open source (http://socr.googlecode.com/), hoping to contribute to the efforts of the statistical computing community. The code includes functionality for each specific analysis model and it has general utilities that can be applied in various statistical computing tasks. For example, concrete methods with API (Application Programming Interface) have been implemented in statistical summary, least square solutions of general linear models, rank calculations, etc. HTML interfaces, tutorials, source code, activities, and data are freely available via the web (www.SOCR.ucla.edu). Code examples for developers and demos for educators are provided on the SOCR Wiki website. In this article, the pedagogical utilization of the SOCR Analyses is discussed, as well as the underlying design framework. As the SOCR project is on-going and more functions and tools are being added to it, these resources are constantly improved. The reader is strongly encouraged to check the SOCR site for most updated information and newly added models. PMID:21546994

An Open-Source Sandbox for Increasing the Accessibility of Functional Programming to the Bioinformatics and Scientific Communities

PubMed Central

Fenwick, Matthew; Sesanker, Colbert; Schiller, Martin R.; Ellis, Heidi JC; Hinman, M. Lee; Vyas, Jay; Gryk, Michael R.

2012-01-01

Scientists are continually faced with the need to express complex mathematical notions in code. The renaissance of functional languages such as LISP and Haskell is often credited to their ability to implement complex data operations and mathematical constructs in an expressive and natural idiom. The slow adoption of functional computing in the scientific community does not, however, reflect the congeniality of these fields. Unfortunately, the learning curve for adoption of functional programming techniques is steeper than that for more traditional languages in the scientific community, such as Python and Java, and this is partially due to the relative sparseness of available learning resources. To fill this gap, we demonstrate and provide applied, scientifically substantial examples of functional programming, We present a multi-language source-code repository for software integration and algorithm development, which generally focuses on the fields of machine learning, data processing, bioinformatics. We encourage scientists who are interested in learning the basics of functional programming to adopt, reuse, and learn from these examples. The source code is available at: https://github.com/CONNJUR/CONNJUR-Sandbox (see also http://www.connjur.org). PMID:25328913

An Open-Source Sandbox for Increasing the Accessibility of Functional Programming to the Bioinformatics and Scientific Communities.

PubMed

Fenwick, Matthew; Sesanker, Colbert; Schiller, Martin R; Ellis, Heidi Jc; Hinman, M Lee; Vyas, Jay; Gryk, Michael R

2012-01-01

Scientists are continually faced with the need to express complex mathematical notions in code. The renaissance of functional languages such as LISP and Haskell is often credited to their ability to implement complex data operations and mathematical constructs in an expressive and natural idiom. The slow adoption of functional computing in the scientific community does not, however, reflect the congeniality of these fields. Unfortunately, the learning curve for adoption of functional programming techniques is steeper than that for more traditional languages in the scientific community, such as Python and Java, and this is partially due to the relative sparseness of available learning resources. To fill this gap, we demonstrate and provide applied, scientifically substantial examples of functional programming, We present a multi-language source-code repository for software integration and algorithm development, which generally focuses on the fields of machine learning, data processing, bioinformatics. We encourage scientists who are interested in learning the basics of functional programming to adopt, reuse, and learn from these examples. The source code is available at: https://github.com/CONNJUR/CONNJUR-Sandbox (see also http://www.connjur.org).

MicroHH 1.0: a computational fluid dynamics code for direct numerical simulation and large-eddy simulation of atmospheric boundary layer flows

NASA Astrophysics Data System (ADS)

van Heerwaarden, Chiel C.; van Stratum, Bart J. H.; Heus, Thijs; Gibbs, Jeremy A.; Fedorovich, Evgeni; Mellado, Juan Pedro

2017-08-01

This paper describes MicroHH 1.0, a new and open-source (www.microhh.org) computational fluid dynamics code for the simulation of turbulent flows in the atmosphere. It is primarily made for direct numerical simulation but also supports large-eddy simulation (LES). The paper covers the description of the governing equations, their numerical implementation, and the parameterizations included in the code. Furthermore, the paper presents the validation of the dynamical core in the form of convergence and conservation tests, and comparison of simulations of channel flows and slope flows against well-established test cases. The full numerical model, including the associated parameterizations for LES, has been tested for a set of cases under stable and unstable conditions, under the Boussinesq and anelastic approximations, and with dry and moist convection under stationary and time-varying boundary conditions. The paper presents performance tests showing good scaling from 256 to 32 768 processes. The graphical processing unit (GPU)-enabled version of the code can reach a speedup of more than an order of magnitude for simulations that fit in the memory of a single GPU.

AREVA Developments for an Efficient and Reliable use of Monte Carlo codes for Radiation Transport Applications

NASA Astrophysics Data System (ADS)

Chapoutier, Nicolas; Mollier, François; Nolin, Guillaume; Culioli, Matthieu; Mace, Jean-Reynald

2017-09-01

In the context of the rising of Monte Carlo transport calculations for any kind of application, AREVA recently improved its suite of engineering tools in order to produce efficient Monte Carlo workflow. Monte Carlo codes, such as MCNP or TRIPOLI, are recognized as reference codes to deal with a large range of radiation transport problems. However the inherent drawbacks of theses codes - laboring input file creation and long computation time - contrast with the maturity of the treatment of the physical phenomena. The goals of the recent AREVA developments were to reach similar efficiency as other mature engineering sciences such as finite elements analyses (e.g. structural or fluid dynamics). Among the main objectives, the creation of a graphical user interface offering CAD tools for geometry creation and other graphical features dedicated to the radiation field (source definition, tally definition) has been reached. The computations times are drastically reduced compared to few years ago thanks to the use of massive parallel runs, and above all, the implementation of hybrid variance reduction technics. From now engineering teams are capable to deliver much more prompt support to any nuclear projects dealing with reactors or fuel cycle facilities from conceptual phase to decommissioning.

CMCpy: Genetic Code-Message Coevolution Models in Python

PubMed Central

Becich, Peter J.; Stark, Brian P.; Bhat, Harish S.; Ardell, David H.

2013-01-01

Code-message coevolution (CMC) models represent coevolution of a genetic code and a population of protein-coding genes (“messages”). Formally, CMC models are sets of quasispecies coupled together for fitness through a shared genetic code. Although CMC models display plausible explanations for the origin of multiple genetic code traits by natural selection, useful modern implementations of CMC models are not currently available. To meet this need we present CMCpy, an object-oriented Python API and command-line executable front-end that can reproduce all published results of CMC models. CMCpy implements multiple solvers for leading eigenpairs of quasispecies models. We also present novel analytical results that extend and generalize applications of perturbation theory to quasispecies models and pioneer the application of a homotopy method for quasispecies with non-unique maximally fit genotypes. Our results therefore facilitate the computational and analytical study of a variety of evolutionary systems. CMCpy is free open-source software available from http://pypi.python.org/pypi/CMCpy/. PMID:23532367

Development of a computer code to calculate the distribution of radionuclides within the human body by the biokinetic models of the ICRP.

PubMed

Matsumoto, Masaki; Yamanaka, Tsuneyasu; Hayakawa, Nobuhiro; Iwai, Satoshi; Sugiura, Nobuyuki

2015-03-01

This paper describes the Basic Radionuclide vAlue for Internal Dosimetry (BRAID) code, which was developed to calculate the time-dependent activity distribution in each organ and tissue characterised by the biokinetic compartmental models provided by the International Commission on Radiological Protection (ICRP). Translocation from one compartment to the next is taken to be governed by first-order kinetics, which is formulated by the first-order differential equations. In the source program of this code, the conservation equations are solved for the mass balance that describes the transfer of a radionuclide between compartments. This code is applicable to the evaluation of the radioactivity of nuclides in an organ or tissue without modification of the source program. It is also possible to handle easily the cases of the revision of the biokinetic model or the application of a uniquely defined model by a user, because this code is designed so that all information on the biokinetic model structure is imported from an input file. The sample calculations are performed with the ICRP model, and the results are compared with the analytic solutions using simple models. It is suggested that this code provides sufficient result for the dose estimation and interpretation of monitoring data. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Time domain simulation of nonlinear acoustic beams generated by rectangular pistons with application to harmonic imaging

NASA Astrophysics Data System (ADS)

Yang, Xinmai; Cleveland, Robin O.

2005-01-01

A time-domain numerical code (the so-called Texas code) that solves the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation has been extended from an axis-symmetric coordinate system to a three-dimensional (3D) Cartesian coordinate system. The code accounts for diffraction (in the parabolic approximation), nonlinearity and absorption and dispersion associated with thermoviscous and relaxation processes. The 3D time domain code was shown to be in agreement with benchmark solutions for circular and rectangular sources, focused and unfocused beams, and linear and nonlinear propagation. The 3D code was used to model the nonlinear propagation of diagnostic ultrasound pulses through tissue. The prediction of the second-harmonic field was sensitive to the choice of frequency-dependent absorption: a frequency squared f2 dependence produced a second-harmonic field which peaked closer to the transducer and had a lower amplitude than that computed for an f1.1 dependence. In comparing spatial maps of the harmonics we found that the second harmonic had dramatically reduced amplitude in the near field and also lower amplitude side lobes in the focal region than the fundamental. These findings were consistent for both uniform and apodized sources and could be contributing factors in the improved imaging reported with clinical scanners using tissue harmonic imaging. .

Time domain simulation of nonlinear acoustic beams generated by rectangular pistons with application to harmonic imaging.

PubMed

Yang, Xinmai; Cleveland, Robin O

2005-01-01

A time-domain numerical code (the so-called Texas code) that solves the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation has been extended from an axis-symmetric coordinate system to a three-dimensional (3D) Cartesian coordinate system. The code accounts for diffraction (in the parabolic approximation), nonlinearity and absorption and dispersion associated with thermoviscous and relaxation processes. The 3D time domain code was shown to be in agreement with benchmark solutions for circular and rectangular sources, focused and unfocused beams, and linear and nonlinear propagation. The 3D code was used to model the nonlinear propagation of diagnostic ultrasound pulses through tissue. The prediction of the second-harmonic field was sensitive to the choice of frequency-dependent absorption: a frequency squared f2 dependence produced a second-harmonic field which peaked closer to the transducer and had a lower amplitude than that computed for an f1.1 dependence. In comparing spatial maps of the harmonics we found that the second harmonic had dramatically reduced amplitude in the near field and also lower amplitude side lobes in the focal region than the fundamental. These findings were consistent for both uniform and apodized sources and could be contributing factors in the improved imaging reported with clinical scanners using tissue harmonic imaging.

The Computational Infrastructure for Geodynamics as a Community of Practice

NASA Astrophysics Data System (ADS)

Hwang, L.; Kellogg, L. H.

2016-12-01

Computational Infrastructure for Geodynamics (CIG), geodynamics.org, originated in 2005 out of community recognition that the efforts of individual or small groups of researchers to develop scientifically-sound software is impossible to sustain, duplicates effort, and makes it difficult for scientists to adopt state-of-the art computational methods that promote new discovery. As a community of practice, participants in CIG share an interest in computational modeling in geodynamics and work together on open source software to build the capacity to support complex, extensible, scalable, interoperable, reliable, and reusable software in an effort to increase the return on investment in scientific software development and increase the quality of the resulting software. The group interacts regularly to learn from each other and better their practices formally through webinar series, workshops, and tutorials and informally through listservs and hackathons. Over the past decade, we have learned that successful scientific software development requires at a minimum: collaboration between domain-expert researchers, software developers and computational scientists; clearly identified and committed lead developer(s); well-defined scientific and computational goals that are regularly evaluated and updated; well-defined benchmarks and testing throughout development; attention throughout development to usability and extensibility; understanding and evaluation of the complexity of dependent libraries; and managed user expectations through education, training, and support. CIG's code donation standards provide the basis for recently formalized best practices in software development (geodynamics.org/cig/dev/best-practices/). Best practices include use of version control; widely used, open source software libraries; extensive test suites; portable configuration and build systems; extensive documentation internal and external to the code; and structured, human readable input formats.

Extending compile-time reverse mode and exploiting partial separability in ADIFOR

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

Bischof, C.H.; El-Khadiri, M.

1992-10-01

The numerical methods employed in the solution of many scientific computing problems require the computation of the gradient of a function f: R[sup n] [yields] R. ADIFOR is a source translator that, given a collection of subroutines to compute f, generates Fortran 77 code for computing the derivative of this function. Using the so-called torsion problem from the MINPACK-2 test collection as an example, this paper explores two issues in automatic differentiation: the efficient computation of derivatives for partial separable functions and the use of the compile-time reverse mode for the generation of derivatives. We show that orders of magnitudesmore » of improvement are possible when exploiting partial separability and maximizing use of the reverse mode.« less

Additional and revised thermochemical data and computer code for WATEQ2: a computerized chemical model for trace and major element speciation and mineral equilibria of natural waters

USGS Publications Warehouse

Ball, James W.; Nordstrom, D. Kirk; Jenne, Everett A.

1980-01-01

A computerized chemical model, WATEQ2, has resulted from extensive additions to and revision of the WATEQ model of Truesdell and Jones (Truesdell, A. H., and Jones, B. F., 1974, WATEQ, a computer program for calculating chemical equilibria of natural waters: J. Res. U. S. Geol, Survey, v. 2, p. 233-274). The model building effort has necessitated searching the literature and selecting thermochemical data pertinent to the reactions added to the model. This supplementary report manes available the details of the reactions added to the model together with the selected thermochemical data and their sources. Also listed are details of program operation and a brief description of the output of the model. Appendices-contain a glossary of identifiers used in the PL/1 computer code, the complete PL/1 listing, and sample output from three water analyses used as test cases.

The IRGen infrared data base modeler

NASA Technical Reports Server (NTRS)

Bernstein, Uri

1993-01-01

IRGen is a modeling system which creates three-dimensional IR data bases for real-time simulation of thermal IR sensors. Starting from a visual data base, IRGen computes the temperature and radiance of every data base surface with a user-specified thermal environment. The predicted gray shade of each surface is then computed from the user specified sensor characteristics. IRGen is based on first-principles models of heat transport and heat flux sources, and it accurately simulates the variations of IR imagery with time of day and with changing environmental conditions. The starting point for creating an IRGen data base is a visual faceted data base, in which every facet has been labeled with a material code. This code is an index into a material data base which contains surface and bulk thermal properties for the material. IRGen uses the material properties to compute the surface temperature at the specified time of day. IRGen also supports image generator features such as texturing and smooth shading, which greatly enhance image realism.

Numerical uncertainty in computational engineering and physics

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

Hemez, Francois M

2009-01-01

Obtaining a solution that approximates ordinary or partial differential equations on a computational mesh or grid does not necessarily mean that the solution is accurate or even 'correct'. Unfortunately assessing the quality of discrete solutions by questioning the role played by spatial and temporal discretizations generally comes as a distant third to test-analysis comparison and model calibration. This publication is contributed to raise awareness of the fact that discrete solutions introduce numerical uncertainty. This uncertainty may, in some cases, overwhelm in complexity and magnitude other sources of uncertainty that include experimental variability, parametric uncertainty and modeling assumptions. The concepts ofmore » consistency, convergence and truncation error are overviewed to explain the articulation between the exact solution of continuous equations, the solution of modified equations and discrete solutions computed by a code. The current state-of-the-practice of code and solution verification activities is discussed. An example in the discipline of hydro-dynamics illustrates the significant effect that meshing can have on the quality of code predictions. A simple method is proposed to derive bounds of solution uncertainty in cases where the exact solution of the continuous equations, or its modified equations, is unknown. It is argued that numerical uncertainty originating from mesh discretization should always be quantified and accounted for in the overall uncertainty 'budget' that supports decision-making for applications in computational physics and engineering.« less

Development and application of the GIM code for the Cyber 203 computer

NASA Technical Reports Server (NTRS)

Stainaker, J. F.; Robinson, M. A.; Rawlinson, E. G.; Anderson, P. G.; Mayne, A. W.; Spradley, L. W.

1982-01-01

The GIM computer code for fluid dynamics research was developed. Enhancement of the computer code, implicit algorithm development, turbulence model implementation, chemistry model development, interactive input module coding and wing/body flowfield computation are described. The GIM quasi-parabolic code development was completed, and the code used to compute a number of example cases. Turbulence models, algebraic and differential equations, were added to the basic viscous code. An equilibrium reacting chemistry model and implicit finite difference scheme were also added. Development was completed on the interactive module for generating the input data for GIM. Solutions for inviscid hypersonic flow over a wing/body configuration are also presented.

76 FR 29609 - Wassenaar Arrangement 2010 Plenary Agreements Implementation: Commerce Control List, Definitions...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-20

... apply to computers specially designed for ``civil aircraft'' applications to prevent this control from... section. Adding a new paragraph 5D002.d to control ``software'' designed or modified to enable an item to... 6D003.f.3 and f.4 to control ``software'' and ``source code,'' specially designed for ``real time...

Heat simulation via Scilab programming

NASA Astrophysics Data System (ADS)

Hasan, Mohammad Khatim; Sulaiman, Jumat; Karim, Samsul Arifin Abdul

2014-07-01

This paper discussed the used of an open source sofware called Scilab to develop a heat simulator. In this paper, heat equation was used to simulate heat behavior in an object. The simulator was developed using finite difference method. Numerical experiment output show that Scilab can produce a good heat behavior simulation with marvellous visual output with only developing simple computer code.

Knowledge-Base Semantic Gap Analysis for the Vulnerability Detection

NASA Astrophysics Data System (ADS)

Wu, Raymond; Seki, Keisuke; Sakamoto, Ryusuke; Hisada, Masayuki

Web security became an alert in internet computing. To cope with ever-rising security complexity, semantic analysis is proposed to fill-in the gap that the current approaches fail to commit. Conventional methods limit their focus to the physical source codes instead of the abstraction of semantics. It bypasses new types of vulnerability and causes tremendous business loss.

Software Tools for Development on the Peregrine System | High-Performance

Science.gov Websites

Computing | NREL Software Tools for Development on the Peregrine System Software Tools for and manage software at the source code level. Cross-Platform Make and SCons The "Cross-Platform Make" (CMake) package is from Kitware, and SCons is a modern software build tool based on Python

Model documentation: Electricity Market Module, Electricity Fuel Dispatch Submodule

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

Not Available

This report documents the objectives, analytical approach and development of the National Energy Modeling System Electricity Fuel Dispatch Submodule (EFD), a submodule of the Electricity Market Module (EMM). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated through the synthesis and scenario development based on these components.

Syndrome source coding and its universal generalization

NASA Technical Reports Server (NTRS)

Ancheta, T. C., Jr.

1975-01-01

A method of using error-correcting codes to obtain data compression, called syndrome-source-coding, is described in which the source sequence is treated as an error pattern whose syndrome forms the compressed data. It is shown that syndrome-source-coding can achieve arbitrarily small distortion with the number of compressed digits per source digit arbitrarily close to the entropy of a binary memoryless source. A universal generalization of syndrome-source-coding is formulated which provides robustly-effective, distortionless, coding of source ensembles.

A computer program to obtain time-correlated gust loads for nonlinear aircraft using the matched-filter-based method

NASA Technical Reports Server (NTRS)

Scott, Robert C.; Pototzky, Anthony S.; Perry, Boyd, III

1994-01-01

NASA Langley Research Center has, for several years, conducted research in the area of time-correlated gust loads for linear and nonlinear aircraft. The results of this work led NASA to recommend that the Matched-Filter-Based One-Dimensional Search Method be used for gust load analyses of nonlinear aircraft. This manual describes this method, describes a FORTRAN code which performs this method, and presents example calculations for a sample nonlinear aircraft model. The name of the code is MFD1DS (Matched-Filter-Based One-Dimensional Search). The program source code, the example aircraft equations of motion, a sample input file, and a sample program output are all listed in the appendices.

Design of orbital debris shields for oblique hypervelocity impact

NASA Technical Reports Server (NTRS)

Fahrenthold, Eric P.

1994-01-01

A new impact debris propagation code was written to link CTH simulations of space debris shield perforation to the Lagrangian finite element code DYNA3D, for space structure wall impact simulations. This software (DC3D) simulates debris cloud evolution using a nonlinear elastic-plastic deformable particle dynamics model, and renders computationally tractable the supercomputer simulation of oblique impacts on Whipple shield protected structures. Comparison of three dimensional, oblique impact simulations with experimental data shows good agreement over a range of velocities of interest in the design of orbital debris shielding. Source code developed during this research is provided on the enclosed floppy disk. An abstract based on the work described was submitted to the 1994 Hypervelocity Impact Symposium.

OVERFLOW-Interaction with Industry

NASA Technical Reports Server (NTRS)

Buning, Pieter G.; George, Michael W. (Technical Monitor)

1996-01-01

A Navier-Stokes flow solver, OVERFLOW, has been developed by researchers at NASA Ames Research Center to use overset (Chimera) grids to simulate the flow about complex aerodynamic shapes. Primary customers of the OVERFLOW flow solver and related software include McDonnell Douglas and Boeing, as well as the NASA Focused Programs for Advanced Subsonic Technology (AST) and High Speed Research (HSR). Code development has focused on customer issues, including improving code performance, ability to run on workstation clusters and the NAS SP2, and direct interaction with industry on accuracy assessment and validation. Significant interaction with NAS has produced a capability tailored to the Ames computing environment, and code contributions have come from a wide range of sources, both within and outside Ames.

GeoFramework: A Modeling Framework for Solid Earth Geophysics

NASA Astrophysics Data System (ADS)

Gurnis, M.; Aivazis, M.; Tromp, J.; Tan, E.; Thoutireddy, P.; Liu, Q.; Choi, E.; Dicaprio, C.; Chen, M.; Simons, M.; Quenette, S.; Appelbe, B.; Aagaard, B.; Williams, C.; Lavier, L.; Moresi, L.; Law, H.

2003-12-01

As data sets in geophysics become larger and of greater relevance to other earth science disciplines, and as earth science becomes more interdisciplinary in general, modeling tools are being driven in new directions. There is now a greater need to link modeling codes to one another, link modeling codes to multiple datasets, and to make modeling software available to non modeling specialists. Coupled with rapid progress in computer hardware (including the computational speed afforded by massively parallel computers), progress in numerical algorithms, and the introduction of software frameworks, these lofty goals of merging software in geophysics are now possible. The GeoFramework project, a collaboration between computer scientists and geoscientists, is a response to these needs and opportunities. GeoFramework is based on and extends Pyre, a Python-based modeling framework, recently developed to link solid (Lagrangian) and fluid (Eulerian) models, as well as mesh generators, visualization packages, and databases, with one another for engineering applications. The utility and generality of Pyre as a general purpose framework in science is now being recognized. Besides its use in engineering and geophysics, it is also being used in particle physics and astronomy. Geology and geophysics impose their own unique requirements on software frameworks which are not generally available in existing frameworks and so there is a need for research in this area. One of the special requirements is the way Lagrangian and Eulerian codes will need to be linked in time and space within a plate tectonics context. GeoFramework has grown beyond its initial goal of linking a limited number of exiting codes together. The following codes are now being reengineered within the context of Pyre: Tecton, 3-D FE Visco-elastic code for lithospheric relaxation; CitComS, a code for spherical mantle convection; SpecFEM3D, a SEM code for global and regional seismic waves; eqsim, a FE code for dynamic earthquake rupture; SNAC, a developing 3-D coded based on the FLAC method for visco-elastoplastic deformation; SNARK, a 3-D FE-PIC method for viscoplastic deformation; and gPLATES an open source paleogeographic/plate tectonics modeling package. We will demonstrate how codes can be linked with themselves, such as a regional and global model of mantle convection and a visco-elastoplastic representation of the crust within viscous mantle flow. Finally, we will describe how http://GeoFramework.org has become a distribution site for a suite of modeling software in geophysics.

Post hoc support vector machine learning for impedimetric biosensors based on weak protein-ligand interactions.

PubMed

Rong, Y; Padron, A V; Hagerty, K J; Nelson, N; Chi, S; Keyhani, N O; Katz, J; Datta, S P A; Gomes, C; McLamore, E S

2018-04-30

Impedimetric biosensors for measuring small molecules based on weak/transient interactions between bioreceptors and target analytes are a challenge for detection electronics, particularly in field studies or in the analysis of complex matrices. Protein-ligand binding sensors have enormous potential for biosensing, but achieving accuracy in complex solutions is a major challenge. There is a need for simple post hoc analytical tools that are not computationally expensive, yet provide near real time feedback on data derived from impedance spectra. Here, we show the use of a simple, open source support vector machine learning algorithm for analyzing impedimetric data in lieu of using equivalent circuit analysis. We demonstrate two different protein-based biosensors to show that the tool can be used for various applications. We conclude with a mobile phone-based demonstration focused on the measurement of acetone, an important biomarker related to the onset of diabetic ketoacidosis. In all conditions tested, the open source classifier was capable of performing as well as, or better, than the equivalent circuit analysis for characterizing weak/transient interactions between a model ligand (acetone) and a small chemosensory protein derived from the tsetse fly. In addition, the tool has a low computational requirement, facilitating use for mobile acquisition systems such as mobile phones. The protocol is deployed through Jupyter notebook (an open source computing environment available for mobile phone, tablet or computer use) and the code was written in Python. For each of the applications, we provide step-by-step instructions in English, Spanish, Mandarin and Portuguese to facilitate widespread use. All codes were based on scikit-learn, an open source software machine learning library in the Python language, and were processed in Jupyter notebook, an open-source web application for Python. The tool can easily be integrated with the mobile biosensor equipment for rapid detection, facilitating use by a broad range of impedimetric biosensor users. This post hoc analysis tool can serve as a launchpad for the convergence of nanobiosensors in planetary health monitoring applications based on mobile phone hardware.

A new Bayesian Earthquake Analysis Tool (BEAT)

NASA Astrophysics Data System (ADS)

Vasyura-Bathke, Hannes; Dutta, Rishabh; Jónsson, Sigurjón; Mai, Martin

2017-04-01

Modern earthquake source estimation studies increasingly use non-linear optimization strategies to estimate kinematic rupture parameters, often considering geodetic and seismic data jointly. However, the optimization process is complex and consists of several steps that need to be followed in the earthquake parameter estimation procedure. These include pre-describing or modeling the fault geometry, calculating the Green's Functions (often assuming a layered elastic half-space), and estimating the distributed final slip and possibly other kinematic source parameters. Recently, Bayesian inference has become popular for estimating posterior distributions of earthquake source model parameters given measured/estimated/assumed data and model uncertainties. For instance, some research groups consider uncertainties of the layered medium and propagate these to the source parameter uncertainties. Other groups make use of informative priors to reduce the model parameter space. In addition, innovative sampling algorithms have been developed that efficiently explore the often high-dimensional parameter spaces. Compared to earlier studies, these improvements have resulted in overall more robust source model parameter estimates that include uncertainties. However, the computational demands of these methods are high and estimation codes are rarely distributed along with the published results. Even if codes are made available, it is often difficult to assemble them into a single optimization framework as they are typically coded in different programing languages. Therefore, further progress and future applications of these methods/codes are hampered, while reproducibility and validation of results has become essentially impossible. In the spirit of providing open-access and modular codes to facilitate progress and reproducible research in earthquake source estimations, we undertook the effort of producing BEAT, a python package that comprises all the above-mentioned features in one single programing environment. The package is build on top of the pyrocko seismological toolbox (www.pyrocko.org) and makes use of the pymc3 module for Bayesian statistical model fitting. BEAT is an open-source package (https://github.com/hvasbath/beat) and we encourage and solicit contributions to the project. In this contribution, we present our strategy for developing BEAT, show application examples, and discuss future developments.

Use of computer code for dose distribution studies in A 60CO industrial irradiator

NASA Astrophysics Data System (ADS)

Piña-Villalpando, G.; Sloan, D. P.

1995-09-01

This paper presents a benchmark comparison between calculated and experimental absorbed dose values tor a typical product, in a 60Co industrial irradiator, located at ININ, México. The irradiator is a two levels, two layers system with overlapping product configuration with activity around 300kCi. Experimental values were obtanied from routine dosimetry, using red acrylic pellets. Typical product was Petri dishes packages, apparent density 0.13 g/cm3; that product was chosen because uniform size, large quantity and low density. Minimum dose was fixed in 15 kGy. Calculated values were obtained from QAD-CGGP code. This code uses a point kernel technique, build-up factors fitting was done by geometrical progression and combinatorial geometry is used for system description. Main modifications for the code were related with source sumilation, using punctual sources instead of pencils and an energy and anisotropic emission spectrums were included. Results were, for maximum dose, calculated value (18.2 kGy) was 8% higher than experimental average value (16.8 kGy); for minimum dose, calculated value (13.8 kGy) was 3% higher than experimental average value (14.3 kGy).

Exploration of Uncertainty in Glacier Modelling

NASA Technical Reports Server (NTRS)

Thompson, David E.

1999-01-01

There are procedures and methods for verification of coding algebra and for validations of models and calculations that are in use in the aerospace computational fluid dynamics (CFD) community. These methods would be efficacious if used by the glacier dynamics modelling community. This paper is a presentation of some of those methods, and how they might be applied to uncertainty management supporting code verification and model validation for glacier dynamics. The similarities and differences between their use in CFD analysis and the proposed application of these methods to glacier modelling are discussed. After establishing sources of uncertainty and methods for code verification, the paper looks at a representative sampling of verification and validation efforts that are underway in the glacier modelling community, and establishes a context for these within overall solution quality assessment. Finally, an information architecture and interactive interface is introduced and advocated. This Integrated Cryospheric Exploration (ICE) Environment is proposed for exploring and managing sources of uncertainty in glacier modelling codes and methods, and for supporting scientific numerical exploration and verification. The details and functionality of this Environment are described based on modifications of a system already developed for CFD modelling and analysis.

A large-scale solar dynamics observatory image dataset for computer vision applications.

PubMed

Kucuk, Ahmet; Banda, Juan M; Angryk, Rafal A

2017-01-01

The National Aeronautics Space Agency (NASA) Solar Dynamics Observatory (SDO) mission has given us unprecedented insight into the Sun's activity. By capturing approximately 70,000 images a day, this mission has created one of the richest and biggest repositories of solar image data available to mankind. With such massive amounts of information, researchers have been able to produce great advances in detecting solar events. In this resource, we compile SDO solar data into a single repository in order to provide the computer vision community with a standardized and curated large-scale dataset of several hundred thousand solar events found on high resolution solar images. This publicly available resource, along with the generation source code, will accelerate computer vision research on NASA's solar image data by reducing the amount of time spent performing data acquisition and curation from the multiple sources we have compiled. By improving the quality of the data with thorough curation, we anticipate a wider adoption and interest from the computer vision to the solar physics community.

pacce: Perl algorithm to compute continuum and equivalent widths

NASA Astrophysics Data System (ADS)

Riffel, Rogério; Borges Vale, Tibério

2011-08-01

We present Perl Algorithm to Compute continuum and Equivalent Widths ( pacce). We describe the methods used in the computations and the requirements for its usage. We compare the measurements made with pacce and "manual" ones made using iraf splot task. These tests show that for synthetic simple stellar population (SSP) models the equivalent widths strengths are very similar (differences ≲0.2 Å) for both measurements. In real stellar spectra, the correlation between both values is still very good, but with differences of up to 0.5 Å. pacce is also able to determine mean continuum and continuum at line center values, which are helpful in stellar population studies. In addition, it is also able to compute the uncertainties in the equivalent widths using photon statistics. The code is made available for the community through the web at http://www.if.ufrgs.br/~riffel/software.html .

Insights Gained from Forensic Analysis with MELCOR of the Fukushima-Daiichi Accidents.

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

Andrews, Nathan C.; Gauntt, Randall O.

Since the accidents at Fukushima-Daiichi, Sandia National Laboratories has been modeling these accident scenarios using the severe accident analysis code, MELCOR. MELCOR is a widely used computer code developed at Sandia National Laboratories since ~1982 for the U.S. Nuclear Regulatory Commission. Insights from the modeling of these accidents is being used to better inform future code development and potentially improved accident management. To date, our necessity to better capture in-vessel thermal-hydraulic and ex-vessel melt coolability and concrete interactions has led to the implementation of new models. The most recent analyses, presented in this paper, have been in support of themore » of the Organization for Economic Cooperation and Development Nuclear Energy Agency’s (OECD/NEA) Benchmark Study of the Accident at the Fukushima Daiichi Nuclear Power Station (BSAF) Project. The goal of this project is to accurately capture the source term from all three releases and then model the atmospheric dispersion. In order to do this, a forensic approach is being used in which available plant data and release timings is being used to inform the modeled MELCOR accident scenario. For example, containment failures, core slumping events and lower head failure timings are all enforced parameters in these analyses. This approach is fundamentally different from a blind code assessment analysis often used in standard problem exercises. The timings of these events are informed by representative spikes or decreases in plant data. The combination of improvements to the MELCOR source code resulting from analysis previous accident analysis and this forensic approach has allowed Sandia to generate representative and plausible source terms for all three accidents at Fukushima Daiichi out to three weeks after the accident to capture both early and late releases. In particular, using the source terms developed by MELCOR, the MACCS software code, which models atmospheric dispersion and deposition, we are able to reasonably capture the deposition of radionuclides to the northwest of the reactor site.« less

Coupled Physics Environment (CouPE) library - Design, Implementation, and Release

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

Mahadevan, Vijay S.

Over several years, high fidelity, validated mono-­physics solvers with proven scalability on peta-­scale architectures have been developed independently. Based on a unified component-­based architecture, these existing codes can be coupled with a unified mesh-­data backplane and a flexible coupling-­strategy-­based driver suite to produce a viable tool for analysts. In this report, we present details on the design decisions and developments on CouPE, an acronym that stands for Coupled Physics Environment that orchestrates a coupled physics solver through the interfaces exposed by MOAB array-­based unstructured mesh, both of which are part of SIGMA (Scalable Interfaces for Geometry and Mesh-­Based Applications) toolkit.more » The SIGMA toolkit contains libraries that enable scalable geometry and unstructured mesh creation and handling in a memory and computationally efficient implementation. The CouPE version being prepared for a full open-­source release along with updated documentation will contain several useful examples that will enable users to start developing their applications natively using the native MOAB mesh and couple their models to existing physics applications to analyze and solve real world problems of interest. An integrated multi-­physics simulation capability for the design and analysis of current and future nuclear reactor models is also being investigated as part of the NEAMS RPL, to tightly couple neutron transport, thermal-­hydraulics and structural mechanics physics under the SHARP framework. This report summarizes the efforts that have been invested in CouPE to bring together several existing physics applications namely PROTEUS (neutron transport code), Nek5000 (computational fluid-dynamics code) and Diablo (structural mechanics code). The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The design of CouPE along with motivations that led to implementation choices are also discussed. The first release of the library will be different from the current version of the code that integrates the components in SHARP and explanation on the need for forking the source base will also be provided. Enhancements in the functionality and improved user guides will be available as part of the release. CouPE v0.1 is scheduled for an open-­source release in December 2014 along with SIGMA v1.1 components that provide support for language-agnostic mesh loading, traversal and query interfaces along with scalable solution transfer of fields between different physics codes. The coupling methodology and software interfaces of the library are presented, along with verification studies on two representative fast sodium-­cooled reactor demonstration problems to prove the usability of the CouPE library.« less

3D unstructured-mesh radiation transport codes

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

Morel, J.

1997-12-31

Three unstructured-mesh radiation transport codes are currently being developed at Los Alamos National Laboratory. The first code is ATTILA, which uses an unstructured tetrahedral mesh in conjunction with standard Sn (discrete-ordinates) angular discretization, standard multigroup energy discretization, and linear-discontinuous spatial differencing. ATTILA solves the standard first-order form of the transport equation using source iteration in conjunction with diffusion-synthetic acceleration of the within-group source iterations. DANTE is designed to run primarily on workstations. The second code is DANTE, which uses a hybrid finite-element mesh consisting of arbitrary combinations of hexahedra, wedges, pyramids, and tetrahedra. DANTE solves several second-order self-adjoint forms of the transport equation including the even-parity equation, the odd-parity equation, and a new equation called the self-adjoint angular flux equation. DANTE also offers three angular discretization options:more » $$S{_}n$$ (discrete-ordinates), $$P{_}n$$ (spherical harmonics), and $$SP{_}n$$ (simplified spherical harmonics). DANTE is designed to run primarily on massively parallel message-passing machines, such as the ASCI-Blue machines at LANL and LLNL. The third code is PERICLES, which uses the same hybrid finite-element mesh as DANTE, but solves the standard first-order form of the transport equation rather than a second-order self-adjoint form. DANTE uses a standard $$S{_}n$$ discretization in angle in conjunction with trilinear-discontinuous spatial differencing, and diffusion-synthetic acceleration of the within-group source iterations. PERICLES was initially designed to run on workstations, but a version for massively parallel message-passing machines will be built. The three codes will be described in detail and computational results will be presented.« less

RICH: OPEN-SOURCE HYDRODYNAMIC SIMULATION ON A MOVING VORONOI MESH

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

Yalinewich, Almog; Steinberg, Elad; Sari, Re’em

2015-02-01

We present here RICH, a state-of-the-art two-dimensional hydrodynamic code based on Godunov’s method, on an unstructured moving mesh (the acronym stands for Racah Institute Computational Hydrodynamics). This code is largely based on the code AREPO. It differs from AREPO in the interpolation and time-advancement schemeS as well as a novel parallelization scheme based on Voronoi tessellation. Using our code, we study the pros and cons of a moving mesh (in comparison to a static mesh). We also compare its accuracy to other codes. Specifically, we show that our implementation of external sources and time-advancement scheme is more accurate and robustmore » than is AREPO when the mesh is allowed to move. We performed a parameter study of the cell rounding mechanism (Lloyd iterations) and its effects. We find that in most cases a moving mesh gives better results than a static mesh, but it is not universally true. In the case where matter moves in one way and a sound wave is traveling in the other way (such that relative to the grid the wave is not moving) a static mesh gives better results than a moving mesh. We perform an analytic analysis for finite difference schemes that reveals that a Lagrangian simulation is better than a Eulerian simulation in the case of a highly supersonic flow. Moreover, we show that Voronoi-based moving mesh schemes suffer from an error, which is resolution independent, due to inconsistencies between the flux calculation and the change in the area of a cell. Our code is publicly available as open source and designed in an object-oriented, user-friendly way that facilitates incorporation of new algorithms and physical processes.« less

BioNetFit: a fitting tool compatible with BioNetGen, NFsim and distributed computing environments.

PubMed

Thomas, Brandon R; Chylek, Lily A; Colvin, Joshua; Sirimulla, Suman; Clayton, Andrew H A; Hlavacek, William S; Posner, Richard G

2016-03-01

Rule-based models are analyzed with specialized simulators, such as those provided by the BioNetGen and NFsim open-source software packages. Here, we present BioNetFit, a general-purpose fitting tool that is compatible with BioNetGen and NFsim. BioNetFit is designed to take advantage of distributed computing resources. This feature facilitates fitting (i.e. optimization of parameter values for consistency with data) when simulations are computationally expensive. BioNetFit can be used on stand-alone Mac, Windows/Cygwin, and Linux platforms and on Linux-based clusters running SLURM, Torque/PBS, or SGE. The BioNetFit source code (Perl) is freely available (http://bionetfit.nau.edu). Supplementary data are available at Bioinformatics online. bionetgen.help@gmail.com. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Analytical solutions for one-, two-, and three-dimensional solute transport in ground-water systems with uniform flow

USGS Publications Warehouse

Wexler, Eliezer J.

1989-01-01

Analytical solutions to the advective-dispersive solute-transport equation are useful in predicting the fate of solutes in ground water. Analytical solutions compiled from available literature or derived by the author are presented in this report for a variety of boundary condition types and solute-source configurations in one-, two-, and three-dimensional systems with uniform ground-water flow. A set of user-oriented computer programs was created to evaluate these solutions and to display the results in tabular and computer-graphics format. These programs incorporate many features that enhance their accuracy, ease of use, and versatility. Documentation for the programs describes their operation and required input data, and presents the results of sample problems. Derivations of select solutions, source codes for the computer programs, and samples of program input and output also are included.

SED-ED, a workflow editor for computational biology experiments written in SED-ML.

PubMed

Adams, Richard R

2012-04-15

The simulation experiment description markup language (SED-ML) is a new community data standard to encode computational biology experiments in a computer-readable XML format. Its widespread adoption will require the development of software support to work with SED-ML files. Here, we describe a software tool, SED-ED, to view, edit, validate and annotate SED-ML documents while shielding end-users from the underlying XML representation. SED-ED supports modellers who wish to create, understand and further develop a simulation description provided in SED-ML format. SED-ED is available as a standalone Java application, as an Eclipse plug-in and as an SBSI (www.sbsi.ed.ac.uk) plug-in, all under an MIT open-source license. Source code is at https://sed-ed-sedmleditor.googlecode.com/svn. The application itself is available from https://sourceforge.net/projects/jlibsedml/files/SED-ED/.

GRASP/Ada 95: Reverse Engineering Tools for Ada

NASA Technical Reports Server (NTRS)

Cross, James H., II

1996-01-01

The GRASP/Ada project (Graphical Representations of Algorithms, Structures, and Processes for Ada) has successfully created and prototyped an algorithmic level graphical representation for Ada software, the Control Structure Diagram (CSD), and a new visualization for a fine-grained complexity metric called the Complexity Profile Graph (CPG). By synchronizing the CSD and the CPG, the CSD view of control structure, nesting, and source code is directly linked to the corresponding visualization of statement level complexity in the CPG. GRASP has been integrated with GNAT, the GNU Ada 95 Translator to provide a comprehensive graphical user interface and development environment for Ada 95. The user may view, edit, print, and compile source code as a CSD with no discernible addition to storage or computational overhead. The primary impetus for creation of the CSD was to improve the comprehension efficiency of Ada software and, as a result, improve reliability and reduce costs. The emphasis has been on the automatic generation of the CSD from Ada 95 source code to support reverse engineering and maintenance. The CSD has the potential to replace traditional prettyprinted Ada source code. The current update has focused on the design and implementation of a new Motif compliant user interface, and a new CSD generator consisting of a tagger and renderer. The Complexity Profile Graph (CPG) is based on a set of functions that describes the context, content, and the scaling for complexity on a statement by statement basis. When combined graphicafly, the result is a composite profile of complexity for the program unit. Ongoing research includes the development and refinement of the associated functions, and the development of the CPG generator prototype. The current Version 5.0 prototype provides the capability for the user to generate CSDs and CPGs from Ada 95 source code in a reverse engineering as well as forward engineering mode with a level of flexibility suitable for practical application. This report provides an overview of the GRASP/Ada project with an emphasis on the current update.

Hydrodynamic Modeling of Free Surface Interactions and Implications for P and Rg Waves Recorded on the Source Physics Experiments

NASA Astrophysics Data System (ADS)

Larmat, C. S.; Rougier, E.; Knight, E.; Yang, X.; Patton, H. J.

2013-12-01

A goal of the Source Physics Experiments (SPE) is to develop explosion source models expanding monitoring capabilities beyond empirical methods. The SPE project combines field experimentation with numerical modelling. The models take into account non-linear processes occurring from the first moment of the explosion as well as complex linear propagation effects of signals reaching far-field recording stations. The hydrodynamic code CASH is used for modelling high-strain rate, non-linear response occurring in the material near the source. Our development efforts focused on incorporating in-situ stress and fracture processes. CASH simulates the material response from the near-source, strong shock zone out to the small-strain and ultimately the elastic regime where a linear code can take over. We developed an interface with the Spectral Element Method code, SPECFEM3D, that is an efficient implementation on parallel computers of a high-order finite element method. SPECFEM3D allows accurate modelling of wave propagation to remote monitoring distance at low cost. We will present CASH-SPECFEM3D results for SPE1, which was a chemical detonation of about 85 kg of TNT at 55 m depth in a granitic geologic unit. Spallation was observed for SPE1. Keeping yield fixed we vary the depth of the source systematically and compute synthetic seismograms to distances where the P and Rg waves are separated, so that analysis can be performed without concern about interference effects due to overlapping energy. We study the time and frequency characteristics of P and Rg waves and analyse them in regard to the impact of free-surface interactions and rock damage resulting from those interactions. We also perform traditional CMT inversions as well as advanced CMT inversions, developed at LANL to take into account the damage. This will allow us to assess the effect of spallation on CMT solutions as well as to validate our inversion procedure. Further work will aim to validate the developed models with the data recorded on SPEs. This long-term goal requires taking into account the 3D structure and thus a comprehensive characterization of the site.

Modeling Elastic Wave Propagation from an Underground Chemical Explosion Using Higher Order Finite Difference Approximation: Theory, Validation and Application to SPE

NASA Astrophysics Data System (ADS)

Hirakawa, E. T.; Ezzedine, S. M.; Petersson, A.; Sjogreen, B.; Vorobiev, O.; Pitarka, A.; Antoun, T.; Walter, W. R.

2016-12-01

Motions from underground explosions are governed by non-linear hydrodynamic response of material. However, the numerical calculation of this non-linear constitutive behavior is computationally intensive in contrast to the elastic and acoustic linear wave propagation solvers. Here, we develop a hybrid modeling approach with one-way hydrodynamic-to-elastic coupling in three dimensions in order to propagate explosion generated ground motions from the non-linear near-source region to the far-field. Near source motions are computed using GEODYN-L, a Lagrangian hydrodynamics code for high-energy loading of earth materials. Motions on a dense grid of points sampled on two nested shells located beyond the non-linear damaged zone are saved, and then passed to SW4, an anelastic anisotropic fourth order finite difference code for seismic wave modeling. Our coupling strategy is based on the decomposition and uniqueness theorems where motions are introduced into SW4 as a boundary source and continue to propagate as elastic waves at a much lower computational cost than by using GEODYN-L to cover the entire near- and the far-field domain. The accuracy of the numerical calculations and the coupling strategy is demonstrated in cases with a purely elastic medium as well as non-linear medium. Our hybrid modeling approach is applied to SPE-4' and SPE-5 which are the most recent underground chemical explosions conducted at the Nevada National Security Site (NNSS) where the Source Physics Experiments (SPE) are performed. Our strategy by design is capable of incorporating complex non-linear effects near the source as well as volumetric and topographic material heterogeneity along the propagation path to receiver, and provides new prospects for modeling and understanding explosion generated seismic waveforms. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-698608.

Spiking network simulation code for petascale computers.

PubMed

Kunkel, Susanne; Schmidt, Maximilian; Eppler, Jochen M; Plesser, Hans E; Masumoto, Gen; Igarashi, Jun; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus; Helias, Moritz

2014-01-01

Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and parameters of their constituents. At cellular resolution, the entities of theory are neurons and synapses and over the past decade researchers have learned to manage the heterogeneity of neurons and synapses with efficient data structures. Already early parallel simulation codes stored synapses in a distributed fashion such that a synapse solely consumes memory on the compute node harboring the target neuron. As petaflop computers with some 100,000 nodes become increasingly available for neuroscience, new challenges arise for neuronal network simulation software: Each neuron contacts on the order of 10,000 other neurons and thus has targets only on a fraction of all compute nodes; furthermore, for any given source neuron, at most a single synapse is typically created on any compute node. From the viewpoint of an individual compute node, the heterogeneity in the synaptic target lists thus collapses along two dimensions: the dimension of the types of synapses and the dimension of the number of synapses of a given type. Here we present a data structure taking advantage of this double collapse using metaprogramming techniques. After introducing the relevant scaling scenario for brain-scale simulations, we quantitatively discuss the performance on two supercomputers. We show that the novel architecture scales to the largest petascale supercomputers available today.

Spiking network simulation code for petascale computers

PubMed Central

Kunkel, Susanne; Schmidt, Maximilian; Eppler, Jochen M.; Plesser, Hans E.; Masumoto, Gen; Igarashi, Jun; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus; Helias, Moritz

2014-01-01

Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and parameters of their constituents. At cellular resolution, the entities of theory are neurons and synapses and over the past decade researchers have learned to manage the heterogeneity of neurons and synapses with efficient data structures. Already early parallel simulation codes stored synapses in a distributed fashion such that a synapse solely consumes memory on the compute node harboring the target neuron. As petaflop computers with some 100,000 nodes become increasingly available for neuroscience, new challenges arise for neuronal network simulation software: Each neuron contacts on the order of 10,000 other neurons and thus has targets only on a fraction of all compute nodes; furthermore, for any given source neuron, at most a single synapse is typically created on any compute node. From the viewpoint of an individual compute node, the heterogeneity in the synaptic target lists thus collapses along two dimensions: the dimension of the types of synapses and the dimension of the number of synapses of a given type. Here we present a data structure taking advantage of this double collapse using metaprogramming techniques. After introducing the relevant scaling scenario for brain-scale simulations, we quantitatively discuss the performance on two supercomputers. We show that the novel architecture scales to the largest petascale supercomputers available today. PMID:25346682

SOPHAEROS code development and its application to falcon tests

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

Lajtha, G.; Missirlian, M.; Kissane, M.

1996-12-31

One of the key issues in source-term evaluation in nuclear reactor severe accidents is determination of the transport behavior of fission products released from the degrading core. The SOPHAEROS computer code is being developed to predict fission product transport in a mechanistic way in light water reactor circuits. These applications of the SOPHAEROS code to the Falcon experiments, among others not presented here, indicate that the numerical scheme of the code is robust, and no convergence problems are encountered. The calculation is also very fast being three times longer on a Sun SPARC 5 workstation than real time and typicallymore » {approx} 10 times faster than an identical calculation with the VICTORIA code. The study demonstrates that the SOPHAEROS 1.3 code is a suitable tool for prediction of the vapor chemistry and fission product transport with a reasonable level of accuracy. Furthermore, the fexibility of the code material data bank allows improvement of understanding of fission product transport and deposition in the circuit. Performing sensitivity studies with different chemical species or with different properties (saturation pressure, chemical equilibrium constants) is very straightforward.« less

Underestimated prevalence of heart failure in hospital inpatients: a comparison of ICD codes and discharge letter information.

PubMed

Kaspar, Mathias; Fette, Georg; Güder, Gülmisal; Seidlmayer, Lea; Ertl, Maximilian; Dietrich, Georg; Greger, Helmut; Puppe, Frank; Störk, Stefan

2018-04-17

Heart failure is the predominant cause of hospitalization and amongst the leading causes of death in Germany. However, accurate estimates of prevalence and incidence are lacking. Reported figures originating from different information sources are compromised by factors like economic reasons or documentation quality. We implemented a clinical data warehouse that integrates various information sources (structured parameters, plain text, data extracted by natural language processing) and enables reliable approximations to the real number of heart failure patients. Performance of ICD-based diagnosis in detecting heart failure was compared across the years 2000-2015 with (a) advanced definitions based on algorithms that integrate various sources of the hospital information system, and (b) a physician-based reference standard. Applying these methods for detecting heart failure in inpatients revealed that relying on ICD codes resulted in a marked underestimation of the true prevalence of heart failure, ranging from 44% in the validation dataset to 55% (single year) and 31% (all years) in the overall analysis. Percentages changed over the years, indicating secular changes in coding practice and efficiency. Performance was markedly improved using search and permutation algorithms from the initial expert-specified query (F1 score of 81%) to the computer-optimized query (F1 score of 86%) or, alternatively, optimizing precision or sensitivity depending on the search objective. Estimating prevalence of heart failure using ICD codes as the sole data source yielded unreliable results. Diagnostic accuracy was markedly improved using dedicated search algorithms. Our approach may be transferred to other hospital information systems.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2008-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields. We need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2008-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities. causing them to crash well before the black hole:, in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2008-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2009-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2007-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2007-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Recently this situation has changed dramatically, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simutation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA.

Binary Black Holes, Gravitational Waves, and Numerical Relativity

NASA Technical Reports Server (NTRS)

Centrella, Joan

2006-01-01

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of extreme gravity, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. This situation has changed dramatically in the past year, with a series of amazing breakthroughs. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LISA and LIGO.

Modeling Vortex Generators in the Wind-US Code

NASA Technical Reports Server (NTRS)

Dudek, Julianne C.

2010-01-01

A source term model which simulates the effects of vortex generators was implemented into the Wind-US Navier Stokes code. The source term added to the Navier-Stokes equations simulates the lift force which would result from a vane-type vortex generator in the flowfield. The implementation is user-friendly, requiring the user to specify only three quantities for each desired vortex generator: the range of grid points over which the force is to be applied and the planform area and angle of incidence of the physical vane. The model behavior was evaluated for subsonic flow in a rectangular duct with a single vane vortex generator, supersonic flow in a rectangular duct with a counterrotating vortex generator pair, and subsonic flow in an S-duct with 22 co-rotating vortex generators. The validation results indicate that the source term vortex generator model provides a useful tool for screening vortex generator configurations and gives comparable results to solutions computed using a gridded vane.

A convolutional neural network approach to calibrating the rotation axis for X-ray computed tomography

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

Yang, Xiaogang; De Carlo, Francesco; Phatak, Charudatta

This paper presents an algorithm to calibrate the center-of-rotation for X-ray tomography by using a machine learning approach, the Convolutional Neural Network (CNN). The algorithm shows excellent accuracy from the evaluation of synthetic data with various noise ratios. It is further validated with experimental data of four different shale samples measured at the Advanced Photon Source and at the Swiss Light Source. The results are as good as those determined by visual inspection and show better robustness than conventional methods. CNN has also great potential forreducing or removingother artifacts caused by instrument instability, detector non-linearity,etc. An open-source toolbox, which integratesmore » the CNN methods described in this paper, is freely available through GitHub at tomography/xlearn and can be easily integrated into existing computational pipelines available at various synchrotron facilities. Source code, documentation and information on how to contribute are also provided.« less

A personal computer-based, multitasking data acquisition system

NASA Technical Reports Server (NTRS)

Bailey, Steven A.

1990-01-01

A multitasking, data acquisition system was written to simultaneously collect meteorological radar and telemetry data from two sources. This system is based on the personal computer architecture. Data is collected via two asynchronous serial ports and is deposited to disk. The system is written in both the C programming language and assembler. It consists of three parts: a multitasking kernel for data collection, a shell with pull down windows as user interface, and a graphics processor for editing data and creating coded messages. An explanation of both system principles and program structure is presented.

Research in computer science

NASA Technical Reports Server (NTRS)

Ortega, J. M.

1984-01-01

Several short summaries of the work performed during this reporting period are presented. Topics discussed in this document include: (1) resilient seeded errors via simple techniques; (2) knowledge representation for engineering design; (3) analysis of faults in a multiversion software experiment; (4) implementation of parallel programming environment; (5) symbolic execution of concurrent programs; (6) two computer graphics systems for visualization of pressure distribution and convective density particles; (7) design of a source code management system; (8) vectorizing incomplete conjugate gradient on the Cyber 203/205; (9) extensions of domain testing theory and; (10) performance analyzer for the pisces system.

User's guide for a large signal computer model of the helical traveling wave tube

NASA Technical Reports Server (NTRS)

Palmer, Raymond W.

1992-01-01

The use is described of a successful large-signal, two-dimensional (axisymmetric), deformable disk computer model of the helical traveling wave tube amplifier, an extensively revised and operationally simplified version. We also discuss program input and output and the auxiliary files necessary for operation. Included is a sample problem and its input data and output results. Interested parties may now obtain from the author the FORTRAN source code, auxiliary files, and sample input data on a standard floppy diskette, the contents of which are described herein.

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

Simunovic, Srdjan; Piro, Markus H.A.

Thermochimica is a software library that determines a unique combination of phases and their compositions at thermochemical equilibrium. Thermochimica can be used for stand-alone calculations or it can be directly coupled to other codes. This release of the software does not have a graphical user interface (GUI) and it can be executed from the command line or from an Application Programming Interface (API). Also, it is not intended for thermodynamic model development or for constructing phase diagrams. The main purpose of the software is to be directly coupled with a multi-physics code to provide material properties and boundary conditions formore » various physical phenomena. Significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. Various useful parameters can be provided as output from Thermochimica, such as: determination of which phases are stable at equilibrium, the mass of solution species and phases at equilibrium, mole fractions of solution phase constituents, thermochemical activities (which are related to partial pressures for gaseous species), chemical potentials of solution species and phases, and integral Gibbs energy (referenced relative to standard state). The overall goal is to provide an open source computational tool to enhance the predictive capability of multi-physics codes without significantly impeding computational performance.« less

The Design and Evaluation of "CAPTools"--A Computer Aided Parallelization Toolkit

NASA Technical Reports Server (NTRS)

Yan, Jerry; Frumkin, Michael; Hribar, Michelle; Jin, Haoqiang; Waheed, Abdul; Johnson, Steve; Cross, Jark; Evans, Emyr; Ierotheou, Constantinos; Leggett, Pete;

Reliability enhancement of Navier-Stokes codes through convergence acceleration

NASA Technical Reports Server (NTRS)

Merkle, Charles L.; Dulikravich, George S.

1995-01-01

Methods for enhancing the reliability of Navier-Stokes computer codes through improving convergence characteristics are presented. The improving of these characteristics decreases the likelihood of code unreliability and user interventions in a design environment. The problem referred to as a 'stiffness' in the governing equations for propulsion-related flowfields is investigated, particularly in regard to common sources of equation stiffness that lead to convergence degradation of CFD algorithms. Von Neumann stability theory is employed as a tool to study the convergence difficulties involved. Based on the stability results, improved algorithms are devised to ensure efficient convergence in different situations. A number of test cases are considered to confirm a correlation between stability theory and numerical convergence. The examples of turbulent and reacting flow are presented, and a generalized form of the preconditioning matrix is derived to handle these problems, i.e., the problems involving additional differential equations for describing the transport of turbulent kinetic energy, dissipation rate and chemical species. Algorithms for unsteady computations are considered. The extension of the preconditioning techniques and algorithms derived for Navier-Stokes computations to three-dimensional flow problems is discussed. New methods to accelerate the convergence of iterative schemes for the numerical integration of systems of partial differential equtions are developed, with a special emphasis on the acceleration of convergence on highly clustered grids.

Novel Scalable 3-D MT Inverse Solver

NASA Astrophysics Data System (ADS)

Kuvshinov, A. V.; Kruglyakov, M.; Geraskin, A.

2016-12-01

We present a new, robust and fast, three-dimensional (3-D) magnetotelluric (MT) inverse solver. As a forward modelling engine a highly-scalable solver extrEMe [1] is used. The (regularized) inversion is based on an iterative gradient-type optimization (quasi-Newton method) and exploits adjoint sources approach for fast calculation of the gradient of the misfit. The inverse solver is able to deal with highly detailed and contrasting models, allows for working (separately or jointly) with any type of MT (single-site and/or inter-site) responses, and supports massive parallelization. Different parallelization strategies implemented in the code allow for optimal usage of available computational resources for a given problem set up. To parameterize an inverse domain a mask approach is implemented, which means that one can merge any subset of forward modelling cells in order to account for (usually) irregular distribution of observation sites. We report results of 3-D numerical experiments aimed at analysing the robustness, performance and scalability of the code. In particular, our computational experiments carried out at different platforms ranging from modern laptops to high-performance clusters demonstrate practically linear scalability of the code up to thousands of nodes. 1. Kruglyakov, M., A. Geraskin, A. Kuvshinov, 2016. Novel accurate and scalable 3-D MT forward solver based on a contracting integral equation method, Computers and Geosciences, in press.

Computing Cosmic Cataclysms

NASA Technical Reports Server (NTRS)

Centrella, Joan M.

2010-01-01

The final merger of two black holes releases a tremendous amount of energy, more than the combined light from all the stars in the visible universe. This energy is emitted in the form of gravitational waves, and observing these sources with gravitational wave detectors requires that we know the pattern or fingerprint of the radiation emitted. Since black hole mergers take place in regions of extreme gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these wave patterns. For more than 30 years, scientists have tried to compute these wave patterns. However, their computer codes have been plagued by problems that caused them to crash. This situation has changed dramatically in the past few years, with a series of amazing breakthroughs. This talk will take you on this quest for these gravitational wave patterns, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed.

Evaluation of a new neutron energy spectrum unfolding code based on an Adaptive Neuro-Fuzzy Inference System (ANFIS).

PubMed

Hosseini, Seyed Abolfazl; Esmaili Paeen Afrakoti, Iman

2018-01-17

The purpose of the present study was to reconstruct the energy spectrum of a poly-energetic neutron source using an algorithm developed based on an Adaptive Neuro-Fuzzy Inference System (ANFIS). ANFIS is a kind of artificial neural network based on the Takagi-Sugeno fuzzy inference system. The ANFIS algorithm uses the advantages of both fuzzy inference systems and artificial neural networks to improve the effectiveness of algorithms in various applications such as modeling, control and classification. The neutron pulse height distributions used as input data in the training procedure for the ANFIS algorithm were obtained from the simulations performed by MCNPX-ESUT computational code (MCNPX-Energy engineering of Sharif University of Technology). Taking into account the normalization condition of each energy spectrum, 4300 neutron energy spectra were generated randomly. (The value in each bin was generated randomly, and finally a normalization of each generated energy spectrum was performed). The randomly generated neutron energy spectra were considered as output data of the developed ANFIS computational code in the training step. To calculate the neutron energy spectrum using conventional methods, an inverse problem with an approximately singular response matrix (with the determinant of the matrix close to zero) should be solved. The solution of the inverse problem using the conventional methods unfold neutron energy spectrum with low accuracy. Application of the iterative algorithms in the solution of such a problem, or utilizing the intelligent algorithms (in which there is no need to solve the problem), is usually preferred for unfolding of the energy spectrum. Therefore, the main reason for development of intelligent algorithms like ANFIS for unfolding of neutron energy spectra is to avoid solving the inverse problem. In the present study, the unfolded neutron energy spectra of 252Cf and 241Am-9Be neutron sources using the developed computational code were found to have excellent agreement with the reference data. Also, the unfolded energy spectra of the neutron sources as obtained using ANFIS were more accurate than the results reported from calculations performed using artificial neural networks in previously published papers. © The Author(s) 2018. Published by Oxford University Press on behalf of The Japan Radiation Research Society and Japanese Society for Radiation Oncology.

MEMOPS: data modelling and automatic code generation.

PubMed

Fogh, Rasmus H; Boucher, Wayne; Ionides, John M C; Vranken, Wim F; Stevens, Tim J; Laue, Ernest D

2010-03-25

In recent years the amount of biological data has exploded to the point where much useful information can only be extracted by complex computational analyses. Such analyses are greatly facilitated by metadata standards, both in terms of the ability to compare data originating from different sources, and in terms of exchanging data in standard forms, e.g. when running processes on a distributed computing infrastructure. However, standards thrive on stability whereas science tends to constantly move, with new methods being developed and old ones modified. Therefore maintaining both metadata standards, and all the code that is required to make them useful, is a non-trivial problem. Memops is a framework that uses an abstract definition of the metadata (described in UML) to generate internal data structures and subroutine libraries for data access (application programming interfaces--APIs--currently in Python, C and Java) and data storage (in XML files or databases). For the individual project these libraries obviate the need for writing code for input parsing, validity checking or output. Memops also ensures that the code is always internally consistent, massively reducing the need for code reorganisation. Across a scientific domain a Memops-supported data model makes it easier to support complex standards that can capture all the data produced in a scientific area, share them among all programs in a complex software pipeline, and carry them forward to deposition in an archive. The principles behind the Memops generation code will be presented, along with example applications in Nuclear Magnetic Resonance (NMR) spectroscopy and structural biology.