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At least 577 records · Page 32

Tri-Lab Co-Design Milestone: In-Depth Performance Portability Analysis of Improved Integrated Codes on Advanced Architecture.

This milestone is a tri-lab deliverable supporting ongoing Co-Design efforts impacting applications in the Integrated Codes (IC) program element Advanced Technology Development and Mitigation (ATDM) program element. In FY14, the trilabs looked at porting proxy application to technologies of interest for ATS procurements. In FY15, a milestone was completed evaluating proxy applications in multiple programming models and in FY16, a milestone was completed focusing on the migration of lessons learned back into production code development. This year, the co-design milestone focuses on extracting the knowledge gained and/or code revisions back into production applications.

97 MATHEMATICS AND COMPUTING↗

An Analysis of Building Energy Code Statewide Adoption Rates by Local Jurisdiction

The purpose of this study is to quantify the energy code adoption rate by local jurisdictions from a sample set of 21 states. Some of the states within this sample have statewide energy codes, while others do not. Using construction starts and weighting results by localities that have or have not adopted energy codes, the findings can suggest a means of identifying which states have “effectively” adopted statewide codes through local adoption and enforcement.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A Case Study of LLVM-Based Analysis for Optimizing SIMD Code Generation

This paper presents a methodology for using LLVM-based tools to tune the DCA++ (dynamical cluster approximation) application that targets the new ARM A64FX processor. The goal is to describe the changes required for the new architecture and generate efficient single instruction/multiple data (SIMD) instructions that target the new Scalable Vector Extension instruction set. During manual tuning, the authors used the LLVM tools to improve code parallelization by using OpenMP SIMD, refactored the code and applied transformation that enabled SIMD optimizations, and ensured that the correct libraries were used to achieve optimal performance. By applying these code changes, code speed was increased by 1.98× and 78 GFlops were achieved on the A64FX processor. The authors aim to automatize parts of the efforts in the OpenMP Advisor tool, which is built on top of existing and newly introduced LLVM tooling.

Huber, Joseph↗

Sensitivity Analysis and Uncertainty Quantification for the LAMMPS Molecular Dynamics Simulation Code

We examine sensitivity analysis and uncertainty quantification for molecular dynamics simulation. Extreme (large or small) output values for the LAMMPS code often occur at the boundaries of input regions, and uncertainties in those boundary values are overlooked by common SA methods. Similarly, input values for which code outputs are consistent with calibration data can also occur near boundaries. Upon applying approaches in the literature for imprecise probabilities (IPs), much more realistic results are obtained than for the complacent application of standard SA and code calibration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

System and method for identifying and comparing code by semantic abstractions

Certain embodiments of the present invention are configured to facilitate analyzing computer code more efficiently. For example, by conducting a first level abstraction (e.g., symbolic interpretation and algebraic simplification) and a second level abstraction (e.g., generalization) of the computer code, the analysis may more accurately account for variations in the code that may occur as a result of register renaming, instruction reordering, choice of instructions, etc. while minimizing the cost of computations required to perform the analysis.

Lakhotia, Arun↗

Extension of the DIF3D Code for Molten Salt Reactor Analysis

The molten salt reactor (MSR) with the fuel dissolved into the liquid salt has been selected as one of the six Generation-IV reactors due to its excellent characteristics in the aspects of sustainability, economy, passive safety, and resource utilization. In a MSR, the fuel salt is circulated throughout the whole system and thus some of delayed neutron precursors generated in the core decay in position of low importance or even out of the core. As a result, the multiplication factor (k-eff) of MSR is smaller than that of a reactor of stationary fuel when all the other conditions are same. Therefore, the neutronics code developed for stationary fuel cannot be applied directly to MSR analysis. In this paper, we describe the extension and application of the DIF3D code to MSR neutronics analysis. The DIF3D code system is a multi-group steady-state neutron diffusion and transport theory solver. It provides three flux solution options: finite-difference diffusion theory, nodal diffusion theory, and variational nodal transport theory methods. Eigenvalue, adjoint, fixed source and criticality (concentration) search problems are permitted. The DIF3D code has recently been modified to model the flowing fuel. To verify the new capability of DIF3D, the MSFR [4] core was analyzed with a wide range of velocity field of fuel salt and time spent outside of the core.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fast Reactor Methods Development Plan

Fast reactor design and safety analysis methods (computer codes) have been under development for approximately sixty years. During the first forty years, code development was driven by the immediate needs of operational facilities such as Experimental Breeder Reactors I and II and the Fast Flux Test Facility. Development was further driven by programmatic needs to support advanced reactor programs such as the Clinch River Breeder Reactor Project and the Advanced Liquid Metal Reactor Program. By the early 1990s, design and safety analysis codes had been well established to addressed the unique characteristics of fast reactors. During the subsequent twenty years, however, development was nearly stagnant as a result of U.S. Government policy changes that abruptly canceled nearly all of the fast reactor research in the United States. As a result, the state of fast reactor design and safety analysis methods has deteriorated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Scripts for Running Multiple Lines of Evidence Analysis

The software code titled “Scripts for Running Multiple Lunes of Evidence Analysis” enables high throughput network analysis; efficient analysis of large multi-omic networks in order to rank genes by connectivity. This code creates a set of scripts that take omic networks as input as well as list of known genes and calculates scores for all other genes in genome based on connectivity to those genes and does so accurately and efficiently. In addition, it aids the user in performing a validation check of observed data to random. The code outputs a table of all genes in the genome with LOE scores and scores observed data versus random.

Furches, AnnaK.↗

ExaSAT: An exascale co-design tool for performance modeling

One of the emerging challenges to designing HPC systems is understanding and projecting the requirements of exascale applications. In order to determine the performance consequences of different hardware designs, analytic models are essential because they can provide fast feedback to the co-design centers and chip designers without costly simulations. However, current attempts to analytically model program performance typically rely on the user manually specifying a performance model. Here we introduce the ExaSAT framework that automates the extraction of parameterized performance models directly from source code using compiler analysis. The parameterized analytic model enables quantitative evaluation of a broad range of hardware design trade-offs and software optimizations on a variety of different performance metrics, with a primary focus on data movement as a metric. Finally, we demonstrate the ExaSAT framework’s ability to perform deep code analysis of a proxy application from the Department of Energy Combustion Co-design Center to illustrate its value to the exascale co-design process. ExaSAT analysis provides insights into the hardware and software trade-offs and lays the groundwork for exploring a more targeted set of design points using cycle-accurate architectural simulators.

97 MATHEMATICS AND COMPUTING↗

REGAL International Program: Analysis of experimental data for depletion code validation

The Rod-Extremity and Gadolinia AnaLysis (REGAL) Program is a joint international effort to expand the nuclide inventory experimental data for irradiated nuclear fuel, with a specific focus on addressing two challenging needs associated with the characterization of modern, high duty, nuclear fuel. The first challenge is filling the gaps in experimental nuclide inventory data for gadolinia (UO 2 –Gd 2 O 3 ) fuel rods. The huge absorption cross sections of Gd-155 and Gd-157 in the Gd dopant in these rods lead to atypical spatial self-shielding patterns and have an impact on the neutronic environment within the fuel assembly compared to regular UO 2 fuel rods. Additionally, the second challenge is investigating the impact of burnup gradients at rod extremities on fuel composition and neutron leakage, to provide relevant experimental data for assessing computational capabilities to model such impact. A benchmark has been defined as a first step in the development of best-estimate models in the preliminary phase of the experimental data evaluation. Comparison of experimental results obtained in Phase I of the program for two measured pressurized water reactor (PWR) samples, one UO 2 and one UO 2 –Gd 2 O 3 sample, with calculated results obtained with different computational tools based on the defined benchmark are presented and discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fuel Performance Evaluation of THOR-C Experiments

The Temperature Heatsink Overpower Response Commissioning (THOR-C) and THOR-Metal (THOR-M) experiments will be performed as part of an ongoing project for testing sodium fast reactor fuels with the Japan Atomic Energy Agency (JAEA). The THOR-C experiments consist of fresh metallic fuel pins and have been analyzed using the ABAQUS, Ansys codes and the BISON fuel performance code. THOR-M-Loss of Flow-1 (THOR-M-LOF-1) is designed to test an EBR-II irradiated fuel pin under LOF conditions. Simulation of the THOR-MLOF-1 experiment required first simulating the base irradiation of the fuel pin in EBR-II. MFUEL module of SAS4A/SASSYS-1 [1] is a physics-based metallic fuel performance model applicable to the normal operation, transient scenarios and fuel failure modeling including scenarios with bulk fuel melting. The model has been validated using EBR-II normal operation, separate effect transient tests as well as TREAT M-Series transient tests [2]. In this study, MFUEL models has been utilized together with a new capsule heat transfer model developed in this project. The new heat transfer model was necessary due to (1) significant amount of heat losses that required 2D heat transfer, (2) the presence of a titanium heat sink, rejecting a significant amount of heat, and (3) stagnant coolant conditions, which are inconsistent with SAS4A/SASSYS-1 (SAS) heat transfer model. Updates to SAS4A/SASSYS-1 and MFUEL has been described below, followed by a preliminary validation effort using the results from THOR-C-2 fresh fuel capsule experiment. A previous study for THOR-C-2 analysis using BISON code is also utilized in this study to model this test [3]. [1] D. O’Grady, A. J. Brunett, L. Ibarra, A. Karahan, T. Kim, T. S. Sumner, R. Thomas, T. H. Fanning, “The SAS4A/SASSYS-2 Version 5.7 Safety Analysis Code System,” Argonne National Laboratory,ANL/NSE-SAS/5.7, (2023). [2] A. Karahan, T. Kim, T. Fanning, D. O’Grady, “Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1,” Argonne National Laboratory, ANL/NSE-23/11, (2023). [3] M. Mihelish, A. Zabriskie, K. Paaren, P. Medvedev, C. Jensen, “Fuel Performance Predictions for the TREAT THOR-C Experiments,” Idaho National Laboratory, INL/RPT-23-73397, Revision 0, (2023)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Construction of a Code Verification Matrix for Heat Conduction With Finite Element Code Applications

When establishing the pedigree of a simulation tool, code verification is used to ensure that the implemented numerical algorithm is a faithful representation of its underlying mathematical model. During this process, numerical results on various meshes are systematically compared to a reference analytic solution. The selection of analytic solutions can be a laborious process, as it is difficult to establish adequate code confidence without performing redundant work. In this report we address this issue by applying a physics-based process that establishes a set of reference problems. In this process, code simulation options are categorized and systematically tested, which ensures that gaps in testing are easily identified and addressed. The resulting problems are primarily intended for code verification analysis but may also be useful for comparison to other simulation codes, troubleshooting activities, or training exercises. The process is used to select fifteen code verification problems relevant for the one-dimensional steady-state heat conduction equation. These problems are applicable to a wide variety of simulation tools, but, in this work, a demonstration is performed using the finite element-based nuclear fuel performance code BISON. Convergence to the analytic solution at the theoretical rate is quantified for a selection of the problems, which establishes a baseline pedigree for the code. Not only can this standard set of conduction solutions be used for verification of other codes, but also the physics-based process for selecting problems can be utilized to quantify and expand testing for any simulation tool.

42 ENGINEERING↗

Verification and Validation of the PLTEMP/ANL Code for Thermal-Hydraulic Analysis of Experimental and Test Reactors

The document compiles in a single volume the verification and validation works done for the PLTEMP/ANL code during the years of its development and improvement. The verification of sixteen capabilities of the PLTEMP/ANL Version 4.3 code that were identified by research reactor analysts as frequently used in their thermal-hydraulic analysis are described and documented. Each chapter of the document deals with the verification or validation of a specific model. The model verification is usually done by comparing the code with hand calculation, Microsoft spreadsheet calculation, or Mathematica calculation. The model validation is done by comparing the code with experimental data or a widely tested code like the RELAP5 code. In addition, some PLTEMP/ANL verification works that are available in the open literature are simply referenced and not included in the document. PLTEMP/ANL has been used in conversion safety analysis reports of several US and foreign research reactors that have been licensed and converted. A list of such reactors is given.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗