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At least 1,711 records · Page 95

ECP ST Capability Assessment Report (CAR) for VTK-m (FY20)

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on Exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors. The results of this project will be delivered in tools like ParaView, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures. One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyper threading and vector operations require even more parallel processing to leverage each core's full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures. The ECP/VTK-m project is building up the VTK-m codebase with the necessary visualization algorithm implementations that run across the varied hardware platforms to be leveraged at the Exascale. We will be working with other ECP projects, such as ALPINE, to integrate the new VTK-m code into production software to enable visualization on our HPC systems.

97 MATHEMATICS AND COMPUTING↗

GentenMPI: Distributed Memory Sparse Tensor Decomposition

GentenMPl is a toolkit of sparse canonical polyadic (CP) tensor decomposition algorithms that is designed to run effectively on distributed-memory high-performance computers. Its use of distributed-memory parallelism enables it to efficiently decompose tensors that are too large for a single compute node's memory. GentenMPl leverages Sandia's decades-long investment in the Trilinos solver framework for much of its parallel-computation capability. Trilinos contains numerical algorithms and linear algebra classes that have been optimized for parallel simulation of complex physical phenomena. This work applies these tools to the data science problem of sparse tensor decomposition. In this report, we describe the use of Trilinos in GentenMPl, extensions needed for sparse tensor decomposition, and implementations of the CP-ALS (CP via alternating least squares) and GCP-SGD (generalized CP via stochastic gradient descent) sparse tensor decomposition algorithms. We show that GentenMPl can decompose sparse tensors of extreme size, e.g., a 12.6-terabyte tensor on 8192 computer cores. We demonstrate that the Trilinos backbone provides good strong and weak scaling of the tensor decomposition algorithms.

97 MATHEMATICS AND COMPUTING↗

Computational analysis of deployable wind turbine systems in defense operational energy applications.

The U.S. military has been exploring pathways to reduce the logistical burden of fuel on virtually all their missions globally. Energy harvesting of local resources such as wind and solar can help increase the resilience and operational effectiveness of military units, especially at the most forward operating bases where the fuel logistics are most challenging. This report considers the potential benefits of wind energy provided by deployable wind turbines as measured by a reduction in fuel consumption and supply convoys to a hypothetical network of Army Infantry Brigade Combat Team bases. Two modeling and simulation tools are used to represent the bases and their operations and quantify the impacts of system design variables that include wind turbine technologies, battery storage, number of turbines, and wind resource quality. The System of Systems Analysis Toolkit Joint Operational Energy Model serves as a baseline scenario for comparison. The Hybrid Optimization of Multiple Energy Resources simulation tool is used to optimize a single base within the larger Joint Operational Energy Model. The results of both tools show that wind turbines can provide significant benefits to contingency bases in terms of reduced fuel use and number of convoy trips to resupply the base. The match between the turbine design and wind resource, which is statistically low across most of the global land area, is a critical design consideration. The addition of battery storage can enhance the benefits of wind turbines, especially in systems with more wind turbines and higher wind resources. Wind turbines may also provide additional benefits to other metrics such as resilience that may be important but not fully considered in the current analysis. ACKNOWLEDGEMENTS The authors would like to thank the following individuals for their helpful support, feedback and review to improve this report: U.S. Department of Energy Wind Energy Technologies Office, Patrick Gilman and Bret Barker; Idaho National Laboratory, Jake Gentle and Bradley Whipple; The National Renewable Energy Laboratory, Robert Preus and Tony Jimenez; Sandia National Laboratories, Alan Nanco, Dennis Anderson, and Hai Le. In addition, numerous discussions with military and industry stakeholders over the year were invaluable in focusing the efforts represented in this report.

17 WIND ENERGY↗

Imagery Applications for Advanced Event Analytics (WBS 24.3.1.3.3-IDC FY202 Final Project Report)

Accurate event locations and replicability of location analyses are essential for assessing the nature of an event, its context, ambient site conditions, and proximity to relevant facilities and infrastructure. Additionally, accurate event locations provide valuable information that reduce uncertainties, improve confidence in event analyses, and inform in-field verification activities. However, event location/relocation and replicability are difficult due to a number of factors, including spatially-sparse network coverage in some areas of the globe and variability in seismic data processing. This team proposed that the incorporation of high-fidelity imagery as a data backbone to the analytical assessment of a suspected underground explosion and/or an advanced seismic event bulletin produced by the International Data Centre (IDC) of the Preparatory Commission for the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO PrepCom) could reduce uncertainties and improve confidence in analyses. Specifically, temporally-separated images can reduce uncertainty by identifying areas where change has occurred (e.g., building construction or demolition, road or facilities improvements). The primary goal of this project was to develop an automated geospatial processing script for imagery change detection to better reflect needs of the technical community (including the IDC) and to make the use of such a tool accessible in a variety of settings across platforms. Technical experts at Los Alamos National Laboratory successfully built GAIA: the Geospatial Automated Imagery Analysis tool, to fill this need. GAIA combines five tool components to produce orthorectified time separated imagery and imagery change detection maps. Our toolkit (1) reduces error by providing a standardized workflow for image analyses and (2) significantly reduces processing time from between 7 and 24+ hours to approximately 5 minutes. Technical experts at Sandia National Laboratories supported GAIA via beta-testing and by introducing a web-based system approach for increased applicability. To test the function, performance, broad application, and ease-of-use of GAIA, we applied it to four separate test cases. The results of this preliminary investigation show promise in reducing uncertainty in seismic event locations: if satellite imagery can show regions where operations that produce seismic activity likely occurred, then pursuing imagery to locate epicenters of seismic nuclear events could reduce the time needed to find the true epicenter location.

58 GEOSCIENCES↗

Generating MCNP Input Files for Unstructured Mesh Geometries

Los Alamos National Laboratory's (LANL) Monte Carlo N-Particle (MCNP) transport code version 6 has the capability for tracking particles on unstructured mesh (UM) geometry models. The MCNP UM feature has been developed for performing calculations of complex geometry models. This capability tracks particles on hybrid geometries where finite element meshes are embedded into constructive solid geometry (CSG) cells. The MCNP UM feature was originally designed to read UM models created by Abaqus/CAE software suite. MCNP versions 6.2.0 and later can process UM models read from Abaqus input les or MCNPUM les converted from Abaqus input les. Sandia National Laboratory's Cubit Toolkit and other finite element analysis software packages may generate UM models and then convert these models into Abaqus input formats.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Imagery Applications for Advanced Event Analytics (WBS 24.3.1.3.3-IDC FY2020 Final Project Report)

Accurate event locations and replicability of location analyses are essential for assessing the nature of an event, its context, ambient site conditions, and proximity to relevant facilities and infrastructure. Additionally, accurate event locations provide valuable information that reduce uncertainties, improve confidence in event analyses, and inform in-field verification activities. However, event location/relocation and replicability are difficult due to a number of factors, including spatially-sparse network coverage in some areas of the globe and variability in seismic data processing. This team proposed that the incorporation of high-fidelity imagery as a data backbone to the analytical assessment of a suspected underground explosion and/or an advanced seismic event bulletin produced by the International Data Centre (IDC) of the Preparatory Commission for the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO PrepCom) could reduce uncertainties and improve confidence in analyses. Specifically, temporally-separated images can reduce uncertainty by identifying areas where change has occurred (e.g., building construction or demolition, road or facilities improvements). The primary goal of this project was to develop an automated geospatial processing script for imagery change detection to better reflect needs of the technical community (including the IDC) and to make the use of such a tool accessible in a variety of settings across platforms. Technical experts at Los Alamos National Laboratory successfully built GAIA: the Geospatial Automated Imagery Analysis tool, to fill this need. GAIA combines five tool components to produce orthorectified time-separated imagery and imagery change detection maps. Our toolkit (1) reduces error by providing a standardized workflow for image analyses and (2) significantly reduces processing time from between 7 and 24+ hours to approximately 5 minutes. Technical experts at Sandia National Laboratories supported GAIA via beta-testing and by introducing a web-based system approach for increased applicability. To test the function, performance, broad application, and ease-of-use of GAIA, we applied it to four separate test cases. The results of this preliminary investigation show promise in reducing uncertainty in seismic event locations: if satellite imagery can show regions where operations that produce seismic activity likely occurred, then pursuing imagery to locate epicenters of seismic nuclear events could reduce the time needed to find the true epicenter location.

58 GEOSCIENCES↗

Sandia GNU Radio Utilities

The Sandia Utilities form an RF toolkit extending the GNU Radio framework for straightforward interaction with bursty RF systems which can be cumbersome using built in capabilities of the framework or other open source extensions. Motivated by the abstract exercise of responding to a modulated burst of information with a unique modulated burst of information, the Sandia Utilities provide several dozen additional debug and signal processing blocks through four software modules. These blocks manifest their utility through a new general concept of operation for GNU Radio applications and extend many existing streaming capabilities to the PDU-based message passing API. Using these concepts and tools, it is straightforward to develop software capabilities to interact with existing and new bursty RF devices.

47 OTHER INSTRUMENTATION↗

Optimizing the LArSoft GaussHitFinder Module

The steps taken to optimize the GaussHitFinder module found in the LArSoft toolkit are documented in detail. By replacing the ROOT-based multi-Gaussian fitter with a custom standalone version, speedups of over 8× are achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

PLATFORM for Product Launch

Pecan Street Inc. (PSI) and its partners set out in 2017 to validate the PLATFORM for Product Launch, a new model for improving the effectiveness of investments in clean energy technologies and accelerating market entry of disruptive technologies. In partnership with a newly formed Innovation Advisory Council, PSI recruited fourteen companies with new hardware-based technologies that enable or create clean energy opportunities. Pecan Street carried out product evaluations and conducted market research with stakeholders and target customers to develop recommendations on product optimization opportunities for all companies, and created third party performance evaluation reports that include environmental metrics, such as water and energy savings potential, to assist in creating investment confidence and to unlock additional sources of funding, such as impact investments. Pecan Street set-up the product testing environment, performed small-batch field testing, and provided a verified third-party performance report on the product of twelve companies. PSI Street and its partners leveraged the performance evaluations and insights from the newly formed PRI toolkit to raise over $1.5M across five companies, and garner interest for private sector adoption of the PLATFORM for Product Launch.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Hydrogen Risk Assessment Models (HyRAM) (Version 3.0 Technical Reference Manual)

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and computationally and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet fires, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in the HyRAM version 3.0. HyRAM 3.0 includes the new ability to model cryogenic hydrogen releases from liquid hydrogen systems, using a different property calculation method and different equations of state. Other changes include modifications to the ignition probability calculations, component leak frequency calculations, and addition of default impulse data.

08 HYDROGEN↗

SimpleMass (Version 2.0.1 Report)

SimpleMass v2 is an updated GUI version of the SimpleMass Excel spreadsheet. It was developed using Python 3.7 and wxPython, a cross-platform GUI toolkit. The program was developed on Windows 10 and tested on macOS Catalina. In theory, the program should work on Linux based operating systems such as Ubuntu, but this has not been tested. Executable versions of the code were built using PyInstaller. The version described in this report is an alpha version that is still in development. It has only been tested by the developer.

97 MATHEMATICS AND COMPUTING↗

GDSA Repository Systems Analysis Investigations (FY2020)

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition (SFWD), has been conducting research and development on generic deep geologic disposal systems (i.e., geologic repositories). This report describes specific activities in the Fiscal Year (FY) 2020 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package within the SFWST Campaign. The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit, and other tools as needed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SIERRA/Aero Theory Manual - Version 4.58

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

42 ENGINEERING↗

SIERRA/Aero User Manual - Version 4.58

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

42 ENGINEERING↗

The Multiphysics on Advanced Platforms Project

In 2015, the Lawrence Livermore National Laboratory started development of next-generation multiphysics simulation capabilities for the National Nuclear Security Administration under the Advanced Technologies Development and Mitigation (ATDM) element of the Advanced Simulation and Computing program in collaboration with the Exascale Computing Project (ECP). A key driver for this effort across the NNSA tri-lab was the emergence of advanced high performance computing (HPC) architectures based on heterogeneous compute capabilities, including GPU based systems, as part of the national drive toward exascale computing platforms at multiple Department of Energy (DOE) facilities. Developing a multiphysics code capable of meeting the various simulation needs of the NNSA as defined by the current generation of integrated codes (or ICs), initially developed as part of the Accelerated Strategic Computing Initiative (ASCI) program beginning in 1996, and able to scale to the current 100 petaflop class pre-exascale systems, as well the forthcoming exaflop class computers, is a daunting challenge. To accomplish this ambitious goal, LLNL has embraced two key themes: use of high-order numerical methods and a modular approach to code development. The LLNL next generation effort is organized under the Multi-Physics on Advanced Platforms Project (MAPP). A foundational component of MAPP is the Axom computer science (CS) toolkit which provides infrastructure for the development of modular, performance portable, multi-physics application codes. MARBL is a next-generation application code built on the Axom base to address the modeling needs of the high energy density physics (HEDP) community for simulating high-explosive, magnetic or laser driven experiments such as inertial confinement fusion (ICF), pulsed-power magneto-hydrodynamics (MHD), equation of state (EOS) and material strength studies as part of the NNSA’s stockpile stewardship program (SSP).

97 MATHEMATICS AND COMPUTING↗

The Ristra Project: FY20/21 Milestone Report

The ASC Advanced Technology Development and Mitigation (ATDM) sub-program was established in 2014 to develop new simulation tools operating on exascale-class computers to serve NNSA (see Appendix B). Over the course of ATDM, LANL management have set a strategy for exascale-class application codes that follows two supportive and mutually risk-mitigating paths: evolution for established production integrated design codes (IDCs) – with a strong pedigree within the user community – based upon existing programming paradigms(MPI+X); and a new start ATDM project, Ristra, a high-risk/high-reward push for a next-generation multi-physics, multi-scale simulation toolkit based on emerging advanced programming systems(with an initial focus on data-flow task-based models exemplified by Legion). The role of Ristra as the high-risk/high-reward path for LANL’s codes was fully consistent with the goals of ATDM as described in Appendix B, in particular its emphasis on evolving ASC capabilities through novel computing programming models and computing technologies.

97 MATHEMATICS AND COMPUTING↗

A Tool-Suite to Improve Reliability and Performance of Combined Transmission-Distribution Under High Solar Penetration

The main motivating factor behind the work is to study the interaction between the transmission and the distribution system in more detail than currently possible. This is particularly important at high PV penetration levels. The developed toolkit allows capturing the coupling between the transmission and the distribution system (T&D) for steady-state and dynamic analysis, thereby furthering our understanding of how the T&D systems interact. One of the objectives of the work is to answer the question, “which analysis require T&D simulation”. To this end, the team held discussions with the utility advisory group (UAG) and identified use cases that are of most interest and studied them in detail. Based on the use cases the team was able to suggest whether the T&D analysis is a necessity for a particular study. The developed techniques, which are documented in detail through publications, are important additions to the literature in power system co-simulation. The publications and the open sourced tools (PFLOW and IGMS) that resulted from this project are highly valuable resources to the researchers in this area.

14 SOLAR ENERGY↗

SIERRA/Aero User Manual - Version 4.52

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

42 ENGINEERING↗