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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Climatespark: an In-Memory Distributed Computing Framework for Big Climate Data Analytics

The unprecedented growth of climate data creates new opportunities for climate studies, and yet big climate data pose a grand challenge to climatologists to efficiently manage and analyze big data. The complexity of climate data content and analytical algorithms increases the difficulty of implementing algorithms on high performance computing systems. This paper proposes an in-memory, distributed computing framework, ClimateSpark, to facilitate complex big data analytics and time-consuming computational tasks. Chunking data structure improves parallel I/O efficiency, while a spatiotemporal index is built for the chunks to avoid unnecessary data reading and preprocessing. An integrated, multi-dimensional, array-based data model (ClimateRDD) and ETL operations are developed to address big climate data variety by integrating the processing components of the climate data lifecycle. ClimateSpark utilizes Spark SQL and Apache Zeppelin to develop a web portal to facilitate the interaction among climatologists, climate data, analytic operations and computing resources (e.g., using SQL query and Scala/Python notebook). Experimental results show that ClimateSpark conducts different spatiotemporal data queries/analytics with high efficiency and data locality. ClimateSpark is easily adaptable to other big multiple- dimensional, array-based datasets in various geoscience domains.

Hu, Fei↗
DOE OSTI2020

Open Source Platform for Live Processing of High Data Rate Electron Microscopy (SBIR Phase I Award Topic 15, Subtopic B, Final Scientific / Technical Report)

4D scanning transmission electron microscopy (STEM) is experiencing a revolution both in terms of data size, and data veracity, as are many other areas of experimental data acquisition. This presents enormous opportunities to make new scientific discoveries, but is also hamstrung by aging software that is no longer fit for purpose. Experimental data acquisition platforms must make the same investments in software infrastructure that the simulation community made decades ago to take advantage of high-performance computing (HPC) if they hope to realize the full potential of the latest advances made in detector technology. This requires rethinking the design and deployment of hardware, moving away from small, fixed commodity computing capabilities with closed interfaces to open, modular, scalable systems designed for parallelism and throughput. The technical approach will leverage best-in-class open source technologies, and develop new approaches strategically to build an open source platform for experimental data acquisition targeting high data rate electron microscopy. The project will develop a software platform that uses the power and performance of modern HPC resources to ingest the large volume of data produced by electron microscopes using direct electron detectors. A set of configurable pipelines will be used to enable the processing to be tailored to the problem being investigated with builtin visualization of data at interactive rates. This project will leverage investments made by the DOE and other agencies to provide a powerful software platform for the experimental data community working with most powerful electron microscopes, such as 4D STEM detectors. It will create a platform that serves as a reference for the community. Permissive open source licensing will make the platform available to all, with a simple deployment strategy offering the ability to keep data close to where it is generated. This advanced software platform will require customization for each deployment, creating opportunities for software services that are typically offered to extend open source software platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Data Transfer Study HPSS Archiving

The movement of the large amounts of data produced by codes run in a High Performance Computing (HPC) environment can be a bottleneck for project workflows. To balance filesystem capacity and performance requirements, HPC centers enforce data management policies to purge old files to make room for new computation and analysis results. Users at Oak Ridge Leadership Computing Facility (OLCF) and many other HPC user facilities must archive data to avoid data loss during purges, therefore the time associated with data movement for archiving is something that all users must consider. This study observed the difference in transfer speed from the originating location on the Lustre filesystem to the more permanent High Performance Storage System (HPSS). The tests were done with a number of different transfer methods for files that spanned a variety of sizes and compositions that reflect OLCF user data. This data will be used to help users of Titan and other Cray supercomputers plan their workflow and data transfers so that they are most efficient for their project. We will also discuss best practice for maintaining data at shared user facilities.

Big Data↗
DOE OSTI2024

HPC resources for CMS offline computing: An integration and scalability challenge for the Submission Infrastructure

The computing resource needs of LHC experiments are expected to continue growing significantly during the Run 3 and into the HL-LHC era. The landscape of available resources will also evolve, as High Performance Computing (HPC) and Cloud resources will provide a comparable, or even dominant, fraction of the total compute capacity. The future years present a challenge for the experiments’ resource provisioning models, both in terms of scalability and increasing complexity. The CMS Submission Infrastructure (SI) provisions computing resources for CMS workflows. This infrastructure is built on a set of federated HTCondor pools, currently aggregating 400k CPU cores distributed worldwide and supporting the simultaneous execution of over 200k computing tasks. Incorporating HPC resources into CMS computing represents firstly an integration challenge, as HPC centers are much more diverse compared to Grid sites. Secondly, evolving the present SI, dimensioned to harness the current CMS computing capacity, to reach the resource scales required for the HLLHC phase, while maintaining global flexibility and efficiency, will represent an additional challenge for the SI. To preventively address future potential scalability limits, the SI team regularly runs tests to explore the maximum reach of our infrastructure. In this note, the integration of HPC resources into CMS offline computing is summarized, the potential concerns for the SI derived from the increased scale of operations are described, and the most recent results of scalability test on the CMS SI are reported.

Pérez-Calero Yzquierdo, Antonio↗
DOE OSTI2024

Machine learning visualization tool for exploring parameterized hydrodynamics

We are interested in the computational study of shock hydrodynamics, i.e. problems involving compressible solids, liquids, and gases that undergo large deformation. These problems are dynamic and nonlinear and can exhibit complex instabilities. Due to advances in high performance computing it is possible to parameterize a hydrodynamic problem and perform a computational study yielding $\mathscr{O} (TB)$ of simulation state data. We present an interactive machine learning tool that can be used to compress, browse, and interpolate these large simulation datasets. This tool allows computational scientists and researchers to quickly visualize 'what-if' situations, perform sensitivity analyses, and optimize complex hydrodynamic experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Mixed-precision iterative refinement using tensor cores on GPUs to accelerate solution of linear systems

Double-precision floating-point arithmetic (FP64) has been the de facto standard for engineering and scientific simulations for several decades. Problem complexity and the sheer volume of data coming from various instruments and sensors motivate researchers to mix and match various approaches to optimize compute resources, including different levels of floating-point precision. In recent years, machine learning has motivated hardware support for half-precision floating-point arithmetic. A primary challenge in high-performance computing is to leverage reduced-precision and mixed-precision hardware. We show how the FP16/FP32 Tensor Cores on NVIDIA GPUs can be exploited to accelerate the solution of linear systems of equations Ax = b without sacrificing numerical stability. The techniques we employ include multiprecision LU factorization, the preconditioned generalized minimal residual algorithm (GMRES), and scaling and auto-adaptive rounding to avoid overflow. We also show how to efficiently handle systems with multiple right-hand sides. On the NVIDIA Quadro GV100 (Volta) GPU, we achieve a 4×-5× performance increase and 5× better energy efficiency versus the standard FP64 implementation while maintaining an FP64 level of numerical stability.

GMRES↗
DOE OSTI2025

OLCF’s Advanced Computing Ecosystem (ACE): FY25 Update for Ongoing Efforts

The advent of widespread use of artificial intelligence (AI) and machine learning (ML) models in science, coupled with fast data production rates of scientific instruments strain the traditional batch-oriented high-performance computing (HPC) environment. As scientific exploration continues to require more data and faster processing and analysis, new emerging technologies and capabilities to enable cross-facility and time-sensitive workflows are required for seamless integration of HPC and experimental facilities. The Advanced Computing Ecosystem (ACE) is a strategic initiative within the Oak Ridge Leadership Computing Facility (OLCF) established in 2024 to support the development of cutting-edge technologies to advance computational research and infrastructure at OLCF and across the Department of Energy (DOE). Several DOE initiatives are spearheading the evolution of the scientific landscape by blurring facility boundaries and connecting the user facilities to advance scientific capabilities and ensure energy dominance. The DOE Integrated Research Infrastructure (IRI) program is one example that is laying a foundation to support complex cross-facility workflows. The IRI program aims to integrate diverse computational resources, data infrastructures, and scientific instruments to facilitate collaboration and accelerate scientific discovery. The Interconnected Science Ecosystem (INTERSECT) initiative at Oak Ridge National Laboratory (ORNL) is another example that aims to revolutionize scientific research through AI-driven, interconnected autonomous laboratories and research facilities. Finally, the American Science Cloud (AmSC), recently announced in the “One Big Beautiful Bill”, aims to leverage prior infrastructure efforts of the IRI and automation and AI efforts of INTERSECT (and others) to build a federated, AI-augmented AmSC platform to unify the DOE’s computing, experimental, and data resources to catalyze scientific innovation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Energy Systems Integration Facility Stewardship Summary: Fiscal Year 2023

A summary of NREL's good stewardship of the nationally unique Energy Systems Integration Facility (ESIF) highlighting performance metrics, infrastructure and capability upgrades, and examples of R&D impact. In fiscal year 2023, ESIF installed its third-generation high-performance computer, expanded capabailities for validating building energy controls, and demonstrated a leap in scale through virtual networking with another national laboratory. ESIF researchers made breakthroughs in cybersecurity for energy systems, efficient high-powered electric vehicle charging, leveraging reinforcement learning for grid resilience, and more.

ADVANCED PROPULSION SYSTEMS,ENERGY CONSERVATION, C↗
DOE OSTI2015

Introducing Enabling Computational Tools to the Climate Sciences: Multi-Resolution Climate Modeling with Adaptive Cubed-Sphere Grids

The research investigates and advances strategies how to bridge the scale discrepancies between local, regional and global phenomena in climate models without the prohibitive computational costs of global cloud-resolving simulations. In particular, the research explores new frontiers in computational geoscience by introducing high-order Adaptive Mesh Refinement (AMR) techniques into climate research. AMR and statically-adapted variable-resolution approaches represent an emerging trend for atmospheric models and are likely to become the new norm in future-generation weather and climate models. The research advances the understanding of multi-scale interactions in the climate system and showcases a pathway how to model these interactions effectively with advanced computational tools, like the Chombo AMR library developed at the Lawrence Berkeley National Laboratory. The research is interdisciplinary and combines applied mathematics, scientific computing and the atmospheric sciences. In this research project, a hierarchy of high-order atmospheric models on cubed-sphere computational grids have been developed that serve as an algorithmic prototype for the finite-volume solution-adaptive Chombo-AMR approach. The foci of the investigations have lied on the characteristics of both static mesh adaptations and dynamically-adaptive grids that can capture flow fields of interest like tropical cyclones. Six research themes have been chosen. These are (1) the introduction of adaptive mesh refinement techniques into the climate sciences, (2) advanced algorithms for nonhydrostatic atmospheric dynamical cores, (3) an assessment of the interplay between resolved-scale dynamical motions and subgrid-scale physical parameterizations, (4) evaluation techniques for atmospheric model hierarchies, (5) the comparison of AMR refinement strategies and (6) tropical cyclone studies with a focus on multi-scale interactions and variable-resolution modeling. The results of this research project demonstrate significant advances in all six research areas. The major conclusions are that statically-adaptive variable-resolution modeling is currently becoming mature in the climate sciences, and that AMR holds outstanding promise for future-generation weather and climate models on high-performance computing architectures.

58 GEOSCIENCES↗
DOE OSTI2020

Scalable Deep-Learning-Accelerated Topology Optimization for Additively Manufactured Materials

Topology optimization (TO) is a popular and powerful computational approach for designing novel structures, materials, and devices. Two computational challenges have limited the applicability of TO to a variety of industrial applications. First, a TO problem often involves a large number of design variables to guarantee sufficient expressive power. Second, many TO problems require a large number of expensive physical model simulations, and those simulations cannot be parallelized. To address these issues, we propose a general scalable deep-learning (DL) based TO framework, referred to as SDL-TO, which utilizes parallel schemes in high performance computing (HPC) to accelerate the TO process for designing additively manufactured (AM) materials. Unlike the existing studies of DL for TO, our framework accelerates TO by learning the iterative history data and simultaneously training on the mapping between the given design and its gradient. The surrogate gradient is learned by utilizing parallel computing on multiple CPUs incorporated with a distributed DL training on multiple GPUs. The learned TO gradient enables a fast online update scheme instead of an expensive update based on the physical simulator or solver. Using a local sampling strategy, we achieve to reduce the intrinsic high dimensionality of the design space and improve the training accuracy and the scalability of the SDL-TO framework. The method is demonstrated by benchmark examples and AM materials design for heat conduction. The proposed SDL-TO framework shows competitive performance compared to the baseline methods but significantly reduces the computational cost by a speed up of around 8.6x over the standard TO implementation.

Bi, Sirui↗
NASA NTRSDate not supplied

Performance of Coupled Physics Solvers for Multidisciplinary Hypersonic Flow Simulations on Several Classes of Computer Architectures

The application of hypersonic flow simulation tools to realistic flight scenarios will require the coupling of multiple physical effects to the baseline fluid dynamics. Such multiphysics effects can include the aerooelastic response of the airframe or engine components, dynamic transport of atmospheric particles, the deformation of solid-fluid interfaces that can ablate, pyrolyze, or erode, as well as a host of other processes, all of which are governed by unique sets of physical equations and models. Coupling multiple (and potentially disparate) physics solvers to a robust compressible flow solver poses additional challenges related to the stability, performance and scalability of the combined solver. The choices made during the software design process can therefore lead to a variation in simulation efficiency across different computer architectures. In this paper, we will consider two representative multiphysics hypersonic flow scenarios: the interaction of solid particulates with the flow field created by a hypersonic lifting body and the aerooelastic deformation of a model airframe under high-Mach-number flow conditions. For these simulations we explore the behavior of several hypersonic simulation tools, including Kestrel, FUN3D, US3D, and JENRE multiphysics framework, on several high performance computing systems containing various CPU and GPU architectures.

architecture↗
DOE OSTI2020

Evaluation of Low Dose Silicon Carbide Temperature Monitors

Thermocouples are generally used to provide real-time temperature indications in instrumented tests performed at materials and test reactors. Melt wires or paint spots are often included in such tests as an independent technique of detecting peak temperatures incurred during irradiation. In addition, less expensive static capsule tests, which have no leads attached for real-time data transmission, often rely on melt wires and paint spots as a post-irradiation technique for peak temperature indication. Unfortunately, these techniques are limited in that they can only detect whether a single temperature is or is not exceeded. Silicon carbide (SiC) monitors are advantageous because a single monitor can be used to determine the peak temperature reached within a relatively broad range (200 – 800°C). Although the use of SiC monitors was proposed more than five decades ago, the ultimate performance limits of this technique are not fully understood. The Nuclear Science User Facilities (NSUF) is the United States Department of Energy Office of Nuclear Energy's only designated nuclear energy user facility. Its mission is to provide nuclear energy researchers access to world-class capabilities and to facilitate the advancement of nuclear science and technology. This mission is supported by providing access to state-of-the-art experimental irradiation testing, post irradiation examination facilities, and high performance computing capabilities as well as technical and scientific assistance for the design and execution of projects. As part of an NSUF project, low dose silicon carbide monitors were irradiated in the Belgian Reactor 2 and were then evaluated both at the SCK•CEN and at Idaho National Laboratory's High Temperature Test Laboratory to determine their peak temperature achieved during irradiation. The technical significance of this work was that the monitors were irradiated to a dose that was significantly less than recommended in published literature. This paper will discuss the evaluation process, the irradiation test, and the performance of the low dose silicon carbide temperature monitors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transforming Science Through Software: Improving While Delivering 100×

The U.S. Department of Energy (DOE) Exascale Computing Project (ECP) funded the development of new (and the transformation of important existing) applications, libraries, and tools that realized improvement in performance and capabilities of often 100 times or more on emerging exascale computers. This exceptional gain inspired the title of this special issue: Transforming Science through Software: Improving while delivering 100X. The term 100X refers to advancing capabilities in modeling, simulation, and analysis by a factor of 100 or more using some combination of new algorithms, optimization techniques, software libraries, and programming models, coupled with the next generation of hardware for high-performance computing (HPC). The papers in this issue share experiences with the practice and science of scientific software development, with an emphasis on developing a coherent, portable, and sustainable HPC software ecosystem for next-generation computational science. Finally, we hope to foster expanded community efforts related to the fundamental role of sustainable scientific software ecosystems in advancing the computing sciences.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Parallel Three-Dimensional Computation of Fluid Dynamics and Fluid-Structure Interactions of Ram-Air Parachutes

This is a final report as far as our work at University of Minnesota is concerned. The report describes our research progress and accomplishments in development of high performance computing methods and tools for 3D finite element computation of aerodynamic characteristics and fluid-structure interactions (FSI) arising in airdrop systems, namely ram-air parachutes and round parachutes. This class of simulations involves complex geometries, flexible structural components, deforming fluid domains, and unsteady flow patterns. The key components of our simulation toolkit are a stabilized finite element flow solver, a nonlinear structural dynamics solver, an automatic mesh moving scheme, and an interface between the fluid and structural solvers; all of these have been developed within a parallel message-passing paradigm.

Tezduyar, Tayfun E.↗
DOE OSTI2013

Applications of Ensemble-based Data Assimilation Techniques for Aquifer Characterization using Tracer Data at Hanford 300 Area

Subsurface aquifer characterization often involves high parameter dimensionality and requires tremendous computational resources if employing a full Bayesian approach. Ensemble-based data assimilation techniques, including filtering and smoothing, are computationally efficient alternatives. Despite the increasing number of applications of ensemble-based methods in assimilating flow and transport related data for subsurface aquifer charaterization, most are limited to either synthetic studies or two-dimensional problems. In this study, we applied ensemble-based techniques for assimilating field tracer experimental data obtained from the Integrated Field Research Challenge (IFRC) site at the Hanford 300 Area. The forward problem was simulated using the massively-parallel three-dimensional flow and transport code PFLOTRAN to effectively deal with the highly transient flow boundary conditions at the site and to meet the computational demands of ensemble-based methods. This study demonstrates the effectiveness of ensemble-based methods for characterizing a heterogeneous aquifer by sequentially assimilating multiple types of data. The necessity of employing high performance computing is shown to enable increasingly mechanistic non-linear forward simulations to be performed within the data assimilation framework for a complex system with reasonable turnaround time.

data assimilation, ensemble kalman filter, inverse↗
DOE OSTI2017

SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulence and Transport

Energetic particle (EP) confinement is a key physics issue for burning plasma experiment ITER, the crucial next step in the quest for clean and abundant energy, since ignition relies on self-heating by energetic fusion products (α-particles). Due to the strong coupling of EP with burning thermal plasmas, plasma confinement property in the ignition regime is one of the most uncertain factors when extrapolating from existing fusion devices to the ITER tokamak. EP population in current tokamaks are mostly produced by auxiliary heating such as neutral beam injection (NBI) and radio frequency (RF) heating. Remarkable progress in developing comprehensive EP simulation codes and understanding basic EP physics has been made by two concurrent SciDAC EP projects GSEP funded by the Department of Energy (DOE) Office of Fusion Energy Science (OFES), which have successfully established gyrokinetic turbulence simulation as a necessary paradigm shift for studying the EP confinement in burning plasmas. Verification and validation have rapidly advanced through close collaborations between simulation, theory, and experiment. Furthermore, productive collaborations with computational scientists have enabled EP simulation codes to effectively utilize current petascale computers and emerging exascale computers. We review here key physics progress in the GSEP projects regarding verification and validation of gyrokinetic simulations, nonlinear EP physics, EP coupling with thermal plasmas, and reduced EP transport models. Advances in high performance computing through collaborations with computational scientists that enable these large scale electromagnetic simulations are also highlighted. These results have been widely disseminated in numerous peer-reviewed publications including many Phys. Rev. Lett. papers and many invited presentations at prominent fusion conferences such as the biennial International Atomic Energy Agency (IAEA) Fusion Energy Conference and the annual meeting of the American Physics Society, Division of Plasma Physics (APS-DPP).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

Modelling parallel programs and multiprocessor architectures with AXE

AXE, An Experimental Environment for Parallel Systems, was designed to model and simulate for parallel systems at the process level. It provides an integrated environment for specifying computation models, multiprocessor architectures, data collection, and performance visualization. AXE is being used at NASA-Ames for developing resource management strategies, parallel problem formulation, multiprocessor architectures, and operating system issues related to the High Performance Computing and Communications Program. AXE's simple, structured user-interface enables the user to model parallel programs and machines precisely and efficiently. Its quick turn-around time keeps the user interested and productive. AXE models multicomputers. The user may easily modify various architectural parameters including the number of sites, connection topologies, and overhead for operating system activities. Parallel computations in AXE are represented as collections of autonomous computing objects known as players. Their use and behavior is described. Performance data of the multiprocessor model can be observed on a color screen. These include CPU and message routing bottlenecks, and the dynamic status of the software.

Yan, Jerry C.↗