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At least 127 records · Page 7

Hydra-TH User's Manual, Dated: December 1, 2011 (V.LA-CC-11-120)

Hydra-TH is a hybrid finite-element/finite-volume code built using the Hydra toolkit specifically to attack a broad class of incompressible, viscous fluid dynamics problems prevalent in the thermal-hydraulics community. The purpose for this manual is provide sufficient information for an experience analyst to use Hydra-TH in an effective way. The Hydra-TH User's Manual present a brief overview of capabilities and visualization interfaces. The execution and restart models are described before turning to the detailed description of keyword input. Finally, a series of example problems are presented with sufficient data to permit the user to verify the local installation of Hydra-TH, and to permit a convenient starting point for more detailed and complex analyses.

97 MATHEMATICS AND COMPUTING↗

Moab Job Priority (aka. Why is my Job not Running?) [Slides]

Why is a job not running is the most frequent Moab question we receive. 93%* of the time, the answer is, “because the cluster is busy” and the job has to wait its turn (*not really, but seems like it). Most users want to know why other jobs launched in front of their own, and a subset of those want to know what they can do about it.

97 MATHEMATICS AND COMPUTING↗

SAS4A/SASSYS-1 Validation with the FFTF LOFWOS Tests #10-12

The FFTF liquid sodium cooled test reactor was built to assist the development and testing of advanced fuels and material for fast reactors. The goals of the FFTF Passive Safety Testing program included confirming the safety margins of FFTF as a liquid metal reactor, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of its specific design features. The program included thirteen unprotected loss of flow without scram tests. The results of modeling and simulation of LOFWOS Tests #10, #11, and #12 are presented in this report to support validation of Argonne’s SAS4A/SASSYS-1 fast reactor safety analysis code. These three tests did not use the primary loop pony motors and thus transitioned to natural circulation flow rates from varying initial power levels. This validation activity leverages modeling and simulation efforts that originated under an International Atomic Energy Agency Coordinated Research Project (CRP) for benchmark analysis of the FFTF LOFWOS Test #13. The SAS4A/SASSYS-1 model originally developed for the CRP has been extended to include LOFWOS Tests #10-12 and modernized to utilize new code features and modeling practices. Predicted results from SAS4A/SASSYS-1 were compared to measured test data and differences were investigated. Overall, it was concluded that, for LOFWOS Tests #10-12, there was good agreement between the flow, power, and temperature predictions and the measured data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SAS4A/SASSYS-1 Validation with FFTF Tests

The FFTF liquid sodium cooled test reactor was built to assist the development and testing of advanced fuels and material for fast reactors. The goals of the FFTF Passive Safety Testing program included confirming the safety margins of FFTF as a liquid metal reactor, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of its specific design features. The program included thirteen unprotected loss of flow without scram tests. In preparation for the Passive Safety Testing program, a series of individual reactivity feedback tests were performed which were designed to simulate and validate specific features and reactivity feedbacks of the FFTF core.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

RELAP5-3D Developmental Assessment. Comparison of Version 4.3.4i on Linux and Windows

Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code, version 4.3i, compiled on Linux and Windows platforms. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions differ between the Linux and Windows versions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Experiences in extending parallware to support OpenACC. In: WACCPD '15 Proceedings of the Second Workshop on Accelerator Programming using Directives, Article No. 4

Porting scientific codes to accelerator-based computers using OpenACC and OpenMP is an important topic for the HPC community. Programmability, performance portability and developer productivity are key issues for the widespread use of these systems. In the scope of general-purpose parallel computing, Parallware is a new commercial OpenMP-enabling source-to-source compiler that automatically adds OpenMP capabilities in scientific programs. Thus, extending Parallware with OpenACC or OpenMP 4.x support would contribute to improve programmability and developer productivity. In contrast, the performance portability of such approach needs to be demonstrated in practice. This paper presents a preliminary study to extend Parallware with OpenACC support for GPU devices. A simple benchmark suite has been designed to mimic important features and computational patterns of real scientific applications. Handcoded OpenACC versions are compared to OpenMP versions automatically generated by Parallware. Performance is evaluated with the PGI OpenACC compiler on systems accelerated with NVIDIA GPUs.

Lobeiras, Jacobo↗

Kokkos v.4.0

SAND2023-07883O Kokkos software implements C++ performance portability programming models, tools and math libraries, which enables science and engineering software developers to use single-source codes for a wide range of computer architectures. Kokkos also provides implementations of existing and proposed C++ standard features that support programming model and math libraries that are used for implementing performance-portable scientific and engineering applications. The Kokkos libraries provide algorithms, data structures, and tools to enable high-performance computing developers to write performance-portable code. Capabilities fall into three broad categories: Kokkos Core, Kokkos Kernels, and Kokkos Tools. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Four-Dimensional Finite-Orbit-Width Fokker-Planck Code with Sources, for Neoclassical/Anomalous Transport Simulation of Ion and Electron (Final Technical Report)

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 which 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.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

StrmtbFlow Fortran Program, Version 2

<span>This zip file contains files storing Fortran source code, compiled files, an executable file for Windows computers, and example input and output files for StmtbFlow. StrmtbFlow is a Fortran program that solves the multiphase flow equations within stream tubes and can be used to estimate the oil produced and CO2 stored from the application of CO2 EOR to an oil field. StrmtbFlow and StrmtbGen comprise the FE/NETL CO2 Prophet Model, which is a streamline/stream tube reservoir simulator for modeling CO2 EOR. StrmtbFlow's user&rsquo;s manual as well as StrmtbGen and its user's manual and a report on the mathematical basis for the FE/NETL CO2 Prophet Model are available on NETL's website under the Collection Name: FE/NETL CO2 Prophet Model.</span><span>&nbsp;</span>

Morgan, David↗

StrmtbGen Fortran Program, Version 2

This zip file contains files storing Fortran source code, compiled files, an executable file for Windows computers, and example input and output files for StrmtbGen. StrmtbGen is a Fortran program that generates streamlines and stream tubes. StrmtbGen and StrmtbFlow comprise the FE/NETL CO2 Prophet Model, which is a streamline/stream tube reservoir simulator for modeling CO2 EOR. StrmtbGen's user’s manual as well as StrmtbFlow and its user's manual and a report on the mathematical basis for the FE/NETL CO2 Prophet Model are available on NETL's website under the Collection Name: FE/NETL CO2 Prophet Model.

Morgan, David↗

2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This report includes both the background for the program and the reports from the students.

36 MATERIALS SCIENCE↗

2016 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Automated Comparison of Building Energy Simulation Engines [Slides]

This presentation describes the BEopt comparative test suite, which is a tool that facilitates the automated comparison of building energy simulation engines. It also demonstrates how the test suite is improving the accuracy of building energy simulation programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

ATDM Data Management FY2015: Data Warehouse Progress Report

The Advanced Technology Development and Mitigation (ATDM) program at Sandia National Laboratories is a new effort to build next-generation simulation codes that will map well to upcoming exascale computing platforms. Rather than follow traditional single- program, multiple data (SPMD) programming techniques, ATDM is developing applications in an asynchronous many task (AMT) form that describes work as a graph of tasks that have data dependencies. The data management team is focused on developing a data warehouse for ATDM that will enable tasks to store and exchange data objects efficiently. This report summarizes the data management teams efforts during FY15, and documents: (1) an initial API and implementation for the data warehouses key/value store, (2) API requirements for use with ATDMs runtime, (3) initial requirements for storing ATDM-specific data, and (4) the current organization of software components that will be used by the data warehouse.

97 MATHEMATICS AND COMPUTING↗

A tool and a methodology to use macros for abstracting variations in code for different computational demands

Scientific software used on high-performance computing platforms is in a phase of transformation because of the combined increase in the heterogeneity and complexity of models and hardware platforms. Having separate implementations for different platforms can easily lead to combinatorial explosions; therefore, the computational science community has been looking for mechanisms to express code through abstractions that can be specialized for different platforms. Most existing approaches use template meta-programming in C++, and are, therefore language specific. Here, we have developed a tool that uses customized expansion of macros to mimic some of C++ behavior in other languages. It enables unification of any code variants that may be necessary to run efficiently on different target architectures and different computational environments through use of macros with multiple alternative definitions and ability to arbitrate on definition selection for expansion. Combined with two other tools, a custom runtime, and a user specified recipe translator, our custom macroprocessor becomes a part of an overall performance portability solution that does not depend on any specific programming language. We also use macros as code-shorthand that lets code snippets become building blocks that allow variations in control flow to explore performance options. We demonstrate use of macros in Flash-X, a multiphysics multicomponent code with many Fortran legacy components derived from an earlier community code FLASH.

Heterogenous computing↗

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗

Patient-Centered Radiology with FHIR: an Introduction to the Use of FHIR to Offer Radiology a Clinically Integrated Platform

Fast Healthcare Interoperability Resources (FHIR) is an open interoperability standard that allows external software to quickly search for and access clinical information from the electronic medical record (EMR) in a method that is developer-friendly, using current internet technology standards. In this article, we highlight the new FHIR standard and illustrate how FHIR can be used to offer the field of radiology a more clinically integrated and patient-centered system, opening the EMR to external radiology software in ways unfeasible with traditional standards. We explain how to construct FHIR queries relevant to medical imaging using the Society for Imaging Informatics in Medicine (SIIM) Hackathon application programming interface (API), provide sample queries for use, and suggest solutions to offer a patient-centered, rather than an image-centered, workflow that remains clinically relevant.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-E-T-27: A Tool for Routine Quality Assurance of Radiotherapy Dose Calculation Software

Purpose: Dose calculation software is thoroughly evaluated when it is commissioned; however, evaluation of periodic software updates is typically limited in scope due to staffing constraints and the need to quickly return the treatment planning system to clinical service. We developed a tool for quickly and comprehensively testing and documenting dose calculation software against measured data. Methods: A tool was developed using MatLab (The MathWorks, Natick, MA) for evaluation of dose calculation algorithms against measured data. Inputs to the tool are measured data, reference DICOM RT PLAN files describing the measurements, and dose calculations in DICOM format. The tool consists of a collection of extensible modules that can perform analysis of point dose, depth dose curves, and profiles using dose difference, distance-to-agreement, and the gamma-index. Each module generates a report subsection that is incorporated into a master template, which is converted to final form in portable document format (PDF). Results: After each change to the treatment planning system, a report can be generated in approximately 90 minutes. The tool has been in use for more than 5 years, spanning 5 versions of the eMC and 4 versions of the AAA. We have detected changes to the algorithms that affected clinical practice once during this period. Conclusion: Our tool provides an efficient method for quality assurance of dose calculation software, providing a complete set of tests for an update. Future work includes the addition of plan level tests, allowing incorporation of, for example, the TG-119 test suite for IMRT, and integration with the treatment planning system via an application programming interface. Integration with the planning system will permit fully-automated testing and reporting at scheduled intervals.

07 ISOTOPE AND RADIATION SOURCES↗