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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

ASC news highlight for HQ, 12/11/18

LLNL’s package management tool, Spack, has reduced software build times from weeks to hours for programmatic codes, and the tool’s popularity has grown beyond the NNSA laboratories. New workflow features and ongoing community-building efforts have led ECP and many top supercomputing sites worldwide to adopt Spack as their official deployment tool. With a community of over 330 Spack contributors, the maintenance burden for over 3,000 open source packages is now shared with other centers. This reduction of general ASC software maintenance costs frees up code development resources to address unique requirements specific to the stockpile stewardship mission.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Collaborative Research: Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing: the PRIMA-X Project -- Final Technical Report

The PRIMA-X (Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing) project was a collaborative research effort between the University of Oregon (UO) (Malony, PI) and the German Research School for Simulation Sciences GmbH (Wolf, PI) originally, later changed to the Technical University of Darmstadt. Our project aims addressed five areas -- scalability, dynamism, heterogeneity, locality, energy -- that present challenges to performance measurement systems at exascale, with emphasis placed on the first three. In essence, the general goal of the project was to prototype new technologies for performance measurement, analysis, and tuning on future exascale-enable computer systems. Each institution followed its research agena, with periodic coordination and sharing of ideas and results. After the 3-year funding, the PRIMA-X grant was extended beyond the 3-year period at no cost until the end of August 2018. This is the final technical report on the University of Oregon's progress during the entire project scope. Our main focus was to address the PRIMA-X challenges both through technological advancements in the TAU Performance System and their application, as well as prototypes developed in association with other exascale-directed research efforts (prior to the Exascale Computing Project (ECP)). Progress in Years 1 and 2 are summarized and our achievements in Year 3 (plus the extension) are discussed in more detail. This includes specific efforts on power, runtime systems, and monitoring infrastructure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Analysis of Tank 38H (HTF-38-19-18, -19) and Tank 43H (HTF-43-19-20, -21) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. Overall, the results of the analysis indicate the concentrations of species in the Tank 38H surface sample increased significantly from the previous sample with the sodium concentration increasing from 1.09 M in the previous sample to 3.19 M in the current sample. However, it should be noted that the previous Tank 38H surface sample was very dilute compared with typical Tank 38H samples of the recent past. The Tank 38H sub-surface sample shows a composition fairly similar to the previous sample’s composition. Both the Tank 43H surface and sub-surface samples appear slightly more dilute than the previous samples based on the sodium concentrations. For both Tank 38H and Tank 43H, the subsurface samples appear slightly more concentrated for most species than the surface samples. These results indicate some success in increasing the salt solution concentration and reducing stratification in Tank 38H, but some stratification is still evident in both Tank 38H and Tank 43H.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Analysis of Tank 23H (HTF-23-19-23, -24, -25) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 23H to support ECP and CCP. The results of the analysis indicate the concentrations of species in Tank 23H increase with depth in the tank. The sample obtained from the lowest level of 60” from the bottom of the tank shows the highest concentrations for most species analyzed. The surface sample and the 140” sub-surface sample show similar compositions with the sub-surface sample being slightly more concentrated, and both are more dilute than the lowest 60” sub-surface sample for most species analyzed. The total uranium concentration in the three Tank 23H samples show a slight increase from the surface sample to the next lower sub-surface sample, but then a slight decrease in the uranium concentration in the lowest sub-surface sample. The U-235 weight fraction ranges from 0.94-1.2% in the Tank 23H samples. The sum of the major cations versus the sum of the major anions shows a difference of ~5% or less for all three of the Tank 23H samples indicating good data quality for the non-radioactive analytes in the table. Small %RSD values for the replicate analyses with the exception of species close to the detection limit (e.g., Fe) provide another indication of good data quality for the non-radioactive species. The silicon concentrations measured in the Tank 23H samples were all below detection.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

SUNDIALS Multiphysics+MPIManyVector Performance Testing

In this report we document performance test results on a SUNDIALS-based multiphysics demonstration application. We aim to assess the large-scale parallel performance of new capabilities that have been added to the SUNDIALS suite of time integrators and nonlinear solvers in recent years under funding from both the Exascale Computing Project (ECP) and the Scientific Discovery through Advanced Scientific (SciDAC) program, specifically: 1. SUNDIALS’ new MPIManyVector module, that allows extreme flexibility in how a solution "vector" is staged on computational resources. 2. ARKode’s new multirate integration module, MRIStep, allowing high-order accurate calculations that subcycle "fast" processes within "slow" ones. 3. SUNDIALS’ new flexible linear solver interfaces, that allow streamlined specification of problem-specific linear solvers. 4. SUNDIALS’ new N_Vector additions of "fused" vector operations (to increase arithmetic intensity) and separation of reduction operations into "local" and "global" versions (to reduce latency by combining multiple reductions into a single MPI_Allreduce call). We anticipate that subsequent reports will extend this work to investigate a variety of other new features, including SUNDIALS’ generic SUNNonlinearSolver interface and accelerator-enabled N Vector modules, and upcoming MRIStep extensions to support custom "fast" integrators (that leverage problem structure) and IMEX integration of the "slow" time scale (to add diffusion).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Analysis of Tank 38H (HTF-38-19-77, -78) and Tank 43H (HTF-43-19-79, -80) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. Overall, the results indicate the concentrations of most species in the Tank 38H surface and sub-surface samples increased significantly from the previous sample results. The Tank 38H sub-surface sample is more concentrated than the surface sample indicating stratification within the tank. Both the Tank 43H surface and sub-surface samples are similar in composition to the previous samples for most species analyzed. The Tank 43H subsurface sample remains slightly more concentrated than the surface sample indicating a small amount of stratification remains in the tank. The total uranium concentrations for the two Tank 38H samples differ significantly due to the presence of sludge solids in the sub-surface sample that markedly increased the uranium concentration. Both the Tank 38H surface and sub-surface samples have higher uranium concentrations than the previous samples from the tank. The weight percent water insoluble solids on the Tank 38H sub-surface sample show the sample contained 0.30 wt% insoluble solids, well below the 1 wt% limit. The total uranium concentrations of the two Tank 43H samples differ by <10% and are similar to the previous sample results. The sum of the major cations versus the sum of the major anions shows a difference of ~1% for the both the Tank 38H and Tank 43H surface samples providing an indication of good data quality for the nonradioactive analytes in the surface samples. The silicon concentrations measured in the Tank 38H surface and sub-surface samples are higher than the previous sample results. Due to the presence of sludge solids, the Tank 38H sub-surface sample show a silicon concentration an order of magnitude higher than the previous result. The Tank 43H surface and sub-surface samples have similar silicon concentrations and are similar to the previous Tank 43H samples. The silicon concentration was below detectable levels in the process blank. The five samples analyzed show silicon concentrations ranging from 88 to 710 mg/L.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Future High Performance Computing Capabilities: Summary Report of the Advanced Scientific Computing Advisory Committee (ASCAC) Subcommittee

The ASCAC Subcommittee on Future High Performance Computing (HPC) Capabilities has reviewed opportunities and challenges related to the most promising technologies that are currently planned for the post-exascale (2020's) and post-Moore (2030's and beyond) timeframes. We briefly summarize in this report the key findings and recommendations from this review, from the perspective of planning and research directions that need to be given priority to prepare for the very significant challenges that await us in the post-Moore computing era. An overarching concern that emerged from the subcommittee's deliberations is that DOE has lost considerable momentum in funding and sustaining a research pipeline in the applied math and computer science areas that should have been the "seed corn" for preparing for these future challenges, and it is therefore critical to correct this gap as soon as possible. While the subcommittee understands the paramount importance of DOE's commitment to deliver exascale capabilities, we believe that it is essential for DOE ASCR to fund research and development that looks beyond the Exascale Computing Project (ECP) horizon so as to ensure our nation's continued leadership in HPC and we were glad to learn about the ASCAC exascale transition subcommittee in this regard.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Kokkos Training Bootcamp

This report documents the completion of milestone STPM12-17 Kokkos Training Bootcamp. The goal of this milestone was to hold a combined tutorial and hackathon bootcamp event for the Kokkos community and prospective users. The Kokkos Bootcamp event was held at Argonne National Laboratories from August 27 — August 29, 2019. Attendance being lower than expected (we believe largely due to bad timing), the team focused with a select set of ECP partners on early work in preparation for Aurora. In particular we evaluated issues posed by exposing SYCL and OpenMP target offload to applications via the Kokkos Pro Model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Milestone 1241

Harden and optimize the ROCm based AMD GPU backend, develop a prototype backend for the Intel ECP Path Forward architecture, and improve the existing prototype Remote Memory Space capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Geant Exascale / GPU Pilot Project [Slides]

Outline: (1) Exascale: GPU for the foreseeable future; (2) DOE’s Exascale Computing Project: Investing in hardware and software for science; (3) Geant On GPU: prior efforts; (4) Exascale Geant Pilot: a collaboration between ECP and HEP; (5) Goals and strategy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Analysis of Tank 38H (HTF-38-20-7, -8) and tank 43H (HTF-43-20-9, -10) samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. The results indicate the concentrations of most species in the Tank 38H surface sample decreased significantly from the previous surface sample. The Tank 38H sub-surface sample shows only small changes in concentration for most major species in the solution from the previous sample. The large differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate significant stratification of solution species within the tank. The Tank 38H sub-surface sample contained a small amount of sludge solids (<1 wt%).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Advancing Scientific Productivity through Better Scientific Software: Developer Productivity and Software Sustainability Report

The Exascale Computing Project (ECP) provides a unique opportunity to advance computational science and engineering (CSE) through an accelerated growth phase in extreme-scale computing. Central to the project is the development of next-generation applications and software technologies that can exploit emerging architectures for optimal performance and provide high-fidelity, multiphysics, multiscale capabilities. However, disruptive changes in computer architectures and the complexities of tackling new frontiers in extreme-scale modeling, simulation, and analysis present daunting challenges to the productivity of software developers and the sustainability of software artifacts. Members of the CSE community - especially at extreme scales but more broadly at all scales of computing - face an urgent need to improve developer productivity, positively impacting product quality, development time, and staffing resources, and software sustainability, reducing the cost of maintaining, sustaining, and evolving software capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Implementing Software Resiliency in HPX for Extreme Scale Computing

The DOE Office of Science Exascale Computing Project (ECP) outlines the next milestones in the supercomputing domain. The target computing systems under the project will deliver 10x performance while keeping the power budget under 30 megawatts. With such large machines, the need to make applications resilient has become paramount. The benefits of adding resiliency to mission critical and scientific applications, includes the reduced cost of restarting the failed simulation both in terms of time and power. Most of the current implementation of resiliency at the software level makes use of a Coordinated Checkpoint and Restart (C/R). This technique of resiliency generates a consistent global snapshot, also called a checkpoint. Generating snapshots involves global communication and coordination and is achieved by synchronizing all running processes. The generated checkpoint is then stored in some form of persistent storage. On failure detection, the runtime initiates a global rollback to the most recent previously saved checkpoint. This involves aborting all running processes, rolling them back to the previous state and restarting them.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Analysis of Tank 38H (HTF-38-20-62, -63) and Tank 43H (HTF-43-20-60, -61) Samples for Support of the Enrichment Control and Corrosion Control Programs

SRNL analyzed samples from Tank 38H and Tank 43H to support ECP and CCP. The results indicate the concentrations of most species in the Tank 38H surface sample increased from the previous surface sample. The Tank 38H sub-surface sample shows only small changes in concentration for most major species in the solution from the previous sample. The large differences in the concentrations of major components between the Tank 38H surface and sub-surface samples indicate significant stratification of solution species within the tank. The Tank 38H surface and sub-surface samples both contained a small amount of sludge solids (<1 wt%). The Tank 43H surface and sub-surface samples are slightly more dilute than the previous samples. The Tank 43H sub-surface sample exhibits a composition more concentrated than the surface sample indicating some stratification within the tank. The Tank 38H surface and sub-surface sample both show large increases in the concentrations of uranium and plutonium likely due to the presence of sludge solids in both samples. (Note: the samples were digested and analyzed without filtration.) The total uranium concentrations of the two Tank 43H samples are similar to the previous sample results. The plutonium concentration in both Tank 43H samples appear to have decreased from the previous samples; however, the surface sample concentrations are close to the detection limit.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Nek5000 Enhancements for Faster Running Analysis

The goal of this milestone is to enhance the performance of Nek5000 for thermal-hydraulics analysis. In this milestone, the focus is to accelerate the time-to-solution for coupled calculations of turbulent flows and thermal variations having different time scales that which require resolution of fine-scale structures. The main artifacts delivered include the following: Steady state solvers for rod bundles and pebble beds; Enhancing RANS solvers with improved stability and performance. This document covers work primarily funded under the NEAMS program. We note that the achievements listed here would have been impossible without a strong collaboration between the NEAMS team and ECPCEED team.This synergy was enabled by algorithmic developments funded by DOE ECP Co-Design CEED and DOE ASCR Applied Math program. In this document we are reporting some details on the algorithmic strategies and their results.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

PSIP For HDF5 Pilot Project (Final Report)

Productivity and Sustainability Improvement Planning (PSIP) is a lightweight, incremental and iterative approach (much in the same spirit as Agile methodologies) for making routine software process improvements in software projects. It is designed to be easily applied in existing development workflows. Quoting from a November 2019 workshop paper describing PSIP. PSIP breaks from classic software process improvement approaches such as CMM(I), SPICE, ISO 9000 or Six Sigma, in that it trades comprehensive standards and certification-driven assessment for self-defined, internally driven goals. It does, however, carry forward such ideas as having staged models of improvement (like CMM(I)) in the form of progress tracking cards. Additionally, PSIP is more aligned with lean and agile methods; it adopts their emphasis on iterative improvement and continuous learning. At its core, PSIP is an instantiation of the Plan-Do-Check-Act management cycle (PDCA, also known as Plan-Do-Study-Adjust) which provides the foundation for much of the modern software process improvement literature. This situates PSIP within a constellation of bottom-up, inductive software process improvement methods. PSIP is designed around the notion that already overburdened teams can define and carry out a series of small, incremental steps of progression towards improvement goals without significant (there will be some, but the goal is to avoid significant) disruption to ongoing development activities. A key enabling tool in PSIP is the use of Progress Tracking Cards (PTCs) which define the steps of progression towards a given improvement goal. This is the theory of PSIP. The PSIP for HDF5 project was aimed at putting PSIP into practice with the purpose of evaluating its effectiveness in planning and facilitating quality and process improvements in a scientific software project as well as its associated artifacts. The HDF5 project was chosen as a use case to evaluate PSIP for several reasons. First, NNSA labs and LLNL in particular have a keen interest in how HDF5 quality impacts its uptake and sustainability as a community adopted and supported code. Next, HDF5 is a foundational library, a key substrate in the HPC/CSE software stack, and any improvements there realized through this contract will have benefits to many DOE applications depending on it. HDF5 also represents an older, legacy code with technical debts to pay down. These characteristics are similar to many NNSA and even some ECP code projects. But, because HDF5 is an I/O library, it represents a simpler use case within which to study PSIP than a full-fledged and significantly more complex PDE simulation code. We believe these attributes make HDF5 an ideal use case for evaluating PSIP.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

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↗
DOE OSTI2020

Nek5000 developments in support of industry and the NRC

This year, the Nuclear Energy Advanced Modeling Simulation program (NEAMS) thermal-hydraulics verification and validation (V&V) work has focused in three areas of Nek5000 V&V-driven development. First, in a close collaborative effort with the U. S. Nuclear Regulatory Commission (NRC) staff, we have continued V&V efforts for the HYMERES-2 project using the OECD/NEA sponsored testing in the PSI PANDA facility. This year’s focus of ANL-NRC collaboration involves Nek5000 setups and validation for a range of problems relevant to and including the HYMERES-2 benchmark from PSI. The primary outcome of this year efforts is a more efficient geometry and inlet modeling simplification after a careful sensitivity study of the inlet profiles and pipe geometries. The resulting modeling choice of a short recycling/fully-developed turbulent inlet is within the experimental uncertainty estimate. This finding simplifies the next step of the cross-V&V HYMERES-2 project. In addition, the ANL team continue to provide assistance to the NRC staff in the form of Nek5000 application support in general and on the use of the HPC platforms of ALCF and INL in particular. This supports the NRC’s assessment of Nek5000 for use with the NRC Blue CRAB code suite. Second, we have implemented and tested more robust model of URANS, namely the k – τ model, a variant of the k-ω model, along with other improvements to RANS Nek5000 modeling in general. Because of its demonstrated robustness and stability, the k – τ model is the only RANS model that has been implemented in the new GPU version of the Nek5000 code, nekRS. Lastly, we report the initial implementation of Jacobian-free Newton Krylov approach to the direct Newton method for steady fluid solvers aimed at acceleration of RANS modeling and at IC improvement for LES campaigns. Also leveraging the Exascale Computing Project (ECP) ANL/CEED & SMR team’s software development effort to support NEAMS problems at large scale of the advanced computing architectures, NekRS, a GPU variant of Nek5000, built on top of kernels from libParanumal using OCCA for portability, has been successfully run on the full system of Summit (4608 nodes, 27648 GPUs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗