Search NASASearch

SEARCH · Search NASA

Results for “high-performance computing (HPC)”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8

Democratizing uncertainty quantification

Uncertainty Quantification (UQ) is vital to safety-critical model-based analyses, but the widespread adoption of sophisticated UQ methods is limited by technical complexity. In this paper, we introduce UM-Bridge (the UQ and Modeling Bridge), a high-level abstraction and software protocol that facilitates universal interoperability of UQ software with simulation codes. It breaks down the technical complexity of advanced UQ applications and enables separation of concerns between experts. UM-Bridge democratizes UQ by allowing effective interdisciplinary collaboration, accelerating the development of advanced UQ methods, and making it easy to perform UQ analyses from prototype to High Performance Computing (HPC) scale. In addition, we present a library of ready-to-run UQ benchmark problems, all easily accessible through UM-Bridge. These benchmarks support UQ methodology research, enabling reproducible performance comparisons. We demonstrate UM-Bridge with several scientific applications, harnessing HPC resources even using UQ codes not designed with HPC support.

Benchmarks

A High-Performance Computing GNSS-aware Path Planning Algorithm for Safe Urban Flight Operations

The emergence and development of advanced technologies and vehicle types have created a growing demand for new forms of flight operations. These new and increasingly complex operational paradigms, such as Advanced and Urban Air Mobility (AAM/UAM), present regulatory authorities and the aviation community with several design-and-implementation challenges – particularly for highly autonomous vehicles. An overarching and daunting task is to develop protocols that can integrate these operations without compromising safety or disrupting traditional airspace operations. A shift toward a more predictive, autonomous, risk mitigation capability becomes critical to meet this challenge. This paper proposes and evaluates a computationally-efficient path planning approach to perform pre-flight planning and autonomous in-flight re-routing to minimize exposures to selected hazards. In our evaluation, hazards associated with degraded and missing critical GPS navigation data are considered. In this paper, we first present a high-performance computing path planning approach based on an adapted Bellman-Ford algorithm, developed in the CUDA programming language. Using the adapted path planning algorithm, we test this algorithm when encountering issues with GPS quality, and deliver an implementation that can produce flight paths that minimize exposure to risks, while maintaining a low computational burden. In our evaluation, the computation of periodic and aperiodic path updates are evaluated, prioritizing specific events as triggers for updates, based on changes to satellite availability. These critical events can lead to significant exposure to navigational hazards if not dealt with correctly.

GNSS

A High-Performance Computing GNSS-aware Path Planning Algorithm for Safe Urban Flight Operations

The emergence and development of advanced technologies and vehicle types have created a growing demand for new forms of flight operations. These new and increasingly complex operational paradigms, such as Advanced and Urban Air Mobility (AAM/UAM), present regulatory authorities and the aviation community with several design-and-implementation challenges – particularly for highly autonomous vehicles. An overarching and daunting task is to develop protocols that can integrate these operations without compromising safety or disrupting traditional airspace operations. A shift toward a more predictive, autonomous, risk mitigation capability becomes critical to meet this challenge. This paper proposes and evaluates a computationally-efficient path planning approach to perform pre-flight planning and autonomous in-flight re-routing to minimize exposures to selected hazards. In our evaluation, hazards associated with degraded and missing critical GPS navigation data are considered. In this paper, we first present a high-performance computing path planning approach based on an adapted Bellman-Ford algorithm, developed in the CUDA programming language. Using the adapted path planning algorithm, we test this algorithm when encountering issues with GPS quality, and deliver an implementation that can produce flight paths that minimize exposure to risks, while maintaining a low computational burden. In our evaluation, the computation of periodic and aperiodic path updates are evaluated, prioritizing specific events as triggers for updates, based on changes to satellite availability. These critical events can lead to significant exposure to navigational hazards if not dealt with correctly.

GNSS

Wilkins: HPC in situ workflows made easy

In situ approaches can accelerate the pace of scientific discoveries by allowing scientists to perform data analysis at simulation time. Current in situ workflow systems, however, face challenges in handling the growing complexity and diverse computational requirements of scientific tasks. In this work, we present Wilkins, an in situ workflow system that is designed for ease-of-use while providing scalable and efficient execution of workflow tasks. Wilkins provides a flexible workflow description interface, employs a high-performance data transport layer based on HDF5, and supports tasks with disparate data rates by providing a flow control mechanism. Wilkins seamlessly couples scientific tasks that already use HDF5, without requiring task code modifications. We demonstrate the above features using both synthetic benchmarks and two science use cases in materials science and cosmology.

HPC

Social Networking Adapted for Distributed Scientific Collaboration

Share is a social networking site with novel, specially designed feature sets to enable simultaneous remote collaboration and sharing of large data sets among scientists. The site will include not only the standard features found on popular consumer-oriented social networking sites such as Facebook and Myspace, but also a number of powerful tools to extend its functionality to a science collaboration site. A Virtual Observatory is a promising technology for making data accessible from various missions and instruments through a Web browser. Sci-Share augments services provided by Virtual Observatories by enabling distributed collaboration and sharing of downloaded and/or processed data among scientists. This will, in turn, increase science returns from NASA missions. Sci-Share also enables better utilization of NASA s high-performance computing resources by providing an easy and central mechanism to access and share large files on users space or those saved on mass storage. The most common means of remote scientific collaboration today remains the trio of e-mail for electronic communication, FTP for file sharing, and personalized Web sites for dissemination of papers and research results. Each of these tools has well-known limitations. Sci-Share transforms the social networking paradigm into a scientific collaboration environment by offering powerful tools for cooperative discourse and digital content sharing. Sci-Share differentiates itself by serving as an online repository for users digital content with the following unique features: a) Sharing of any file type, any size, from anywhere; b) Creation of projects and groups for controlled sharing; c) Module for sharing files on HPC (High Performance Computing) sites; d) Universal accessibility of staged files as embedded links on other sites (e.g. Facebook) and tools (e.g. e-mail); e) Drag-and-drop transfer of large files, replacing awkward e-mail attachments (and file size limitations); f) Enterprise-level data and messaging encryption; and g) Easy-to-use intuitive workflow.

Karimabadi, Homa

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY

An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

In this paper, we explore using the Harrow–Hassidim–Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing on domains such as power-grid management and climate projection, we demonstrate the correlations of the accuracy of quantum phase estimation, along with various properties of coefficient matrices, on the final solution and quantum resource cost in iterative and non-iterative numerical methods such as the Newton–Raphson method and finite difference method, as well as their impacts on quantum error correction costs using the Microsoft Azure Quantum resource estimator. We summarize the exponential resource cost from quantum phase estimation before and after quantum error correction and illustrate a potential way to reduce the demands on physical qubits. This work lays down a preliminary step for future investigations, urging a closer examination of quantum algorithms’ scalability and efficiency in domain applications.

hybrid software for QC-HPC

University Data Management Pilot Utilizing the Nuclear Research Data System

Background In 2022, the Office of Science and Technology Policy (OSTP) issued a memo that significantly reshaped the landscape of access to federally funded research. The memo mandated that all taxpayer-funded research be made available to the public without delay upon publication, without an embargo period, superseding the 2013 OSTP public access policy. This public access policy promotes transparency and the democratization of knowledge, ensuring that the fruits of scientific endeavors funded by federal agencies could be immediately accessed and built upon by scientists, educators, students, and the public at large. To implement the requirements of the OSTP guidance and DOE Public Access Plan, the Office of Nuclear Energy (NE) has implemented public access plan guidance and has identified several areas where better data management practices would further expand public access to important nuclear energy related scientific data, reports, and other technical products. Significant NE supported efforts are already underway for data management and public access to important nuclear energy related data.1 2 To address gaps in data management practices, and improve retention and accessibility of data, NE is actively exploring enhanced data management options utilizing its high-performance computing resources administered by its Nuclear Scientific User Facility Program. A newly piloted system, the Nuclear Research Data System (NRDS) acts as a portal for data collection and dissemination. Nuclear Energy University Program Research and Development Portfolio According to Web of Science, NEUP has produced 2,345 journal publication that have been cited more than 61,000 times3 and countless conference proceedings. These publications are publicly available through OSTI.gov and in the open literature. Additional scientific and technical products including project milestones that are not publications and NEUP project final reports are vetted through OSTI.gov and released once reviewed and approved by DOE. Since 2009, NEUP has awarded close to 1,000 different R&D projects in technical areas across the NE research programs. As of June 2023, 512 NEUP reports are publicly available on OSTI. The underlying data for projects is still held at universities, and data transfer, co-location, and dissemination has not occurred in a systematic way. NEUP data is currently accessible through myriad university-based data repositories, or through direct requests to PIs. The program identified this patchwork of repositories, or often lack of publicly available data, as a significant barrier to an organized, accessible, and comprehensive solution to sharing data with the larger nuclear energy community. Approach The goal of this pilot project is to establish a pathway to a consolidated long-term repository for NEUP project data. To accomplish this goal, the pilot strives to accomplish the following objectives: Establish data collection standards, including a standard set of required supplementary information to contextualize and support raw data files. Work with the HPC group collect and upload information and to modify the NRDS system, as needed, to support a standardized approach. Resolve potential barriers to successful roll out of an expanded data collection strategy, including modifying data management plan guidelines and establishing a document and data release process that accounts for potential intellectual property and/or export control concerns. Results Overall, the pilot was successful in collecting 8,982 raw and processes data files, 220 reports, 56 calibration files, and 5,931 other supplementary documents. Supplementary documents included experimental plans, methods, journal publications and conference proceedings, milestone reports, and final reports. Figure 2 shows the number of data sets and supplementary project information provided by each project. Projects has significantly different input, depending on experimental data produced and completeness of the datasets provided.

Data collection

What to Support When You’re Compressing

Over the last nearly 20 years, lossy compression has become an essential aspect of HPC applications’ data pipelines, allowing them to overcome limitations in storage capacity and bandwidth and, in some cases, increase computational throughput and capacity. However, with the adoption of lossy compression comes the requirement to assess and control the impact lossy compression has on scientific outcomes. In this work, we take a major step forward in describing the state of practice and by characterizing workloads. We examine applications’ needs and compressors’ capabilities across 9 different supercomputing application domains. We present 24 takeaways that provide best practices for applications, operational impacts for facilities achieving compressed data, and gaps in application needs not addressed by production compressors that point towards opportunities for future compression research.

Error-Bounded Lossy Compression

Regen: An object layout regenerator on large-scale production HPC systems

This article proposes an object layout regenerator called Regen which regenerates and removes the object layout dynamically to improve the read performance of applications. Regen first detects frequent access patterns from the I/O requests of the applications. Second, Regen reorganizes the objects and regenerates or preallocates new object layouts according to the identified access patterns. Finally, Regen removes or reuses the obsolete or regenerated object layouts as necessary. As a result, Regen accelerates access to objects by providing a flexible object layout. We implement Regen as a framework on top of Proactive Data Container (PDC) and evaluate it on Cori supercomputer, a production-scale HPC system, by using realistic HPC I/O benchmarks. The experimental results show that Regen improves the I/O performance by up to 16.92 × compared with an existing system.

Distributed file system

Converged Computing: A Best of Both Worlds of High-Performance Computing and Cloud

Collaboration between Cloud and High Performance Computing (HPC) communities has accelerated in the last half decade. A common goal to run batch workloads combined with a desire for reproducibility, automation, and optimization has led to successful projects that range from container technologies to workload management and security. This span of current and future work defines a novel “Converged Computing” paradigm that aims to combine the best of both worlds, both from a technological and cultural standpoint. Furthermore, in this Special Issue, we review common themes in the space, showcasing current work and encouraging a continued effort toward innovative ideas that will enable the next generations of scientific discovery.

97 MATHEMATICS AND COMPUTING

Lustre Unveiled: Evolution, Design, Advancements, and Current Trends

The Lustre filesystem serves as a vital element in high-performance parallel storage, meeting the rising demands of scientific, research, and enterprise environments. Widely deployed across HPC environments, ranging from small-scale applications in AI/ML, to domains like oil and gas, drug discovery, and meteorology, and manufacturing, Lustre addresses the universal challenge of efficiently accessing vast and ever-increasing volumes of data. Lustre is the filesystem of choice on six out of the top 10 fastest supercomputers in the world today, over 65% of the top 100, and also for over 60% of the top 500. Despite its widespread popularity, there is a lack of a complete and up-to-date reference, covering Lustre’s evolution, design, and various advancements made over the years. In this journal, we aim to fill this gap by providing a comprehensive journey of Lustre, including its history with significant contributions to HPC, detailed architecture and design elements, exploration of advancements added through its evolution, and future directions. Additionally, we present a comparison of Lustre with other prominent storage technologies of the era. To illustrate the current state of Lustre, we analyze several filesystem trends, including utilization, performance, and usage patterns on Orion, the Lustre filesystem on the first exascale supercomputer Frontier. We hope that this journal serves as a comprehensive educational reference for the current and future generations interested in HPC filesystem storage aspects.

97 MATHEMATICS AND COMPUTING

The ocean model for E3SM global applications: Omega version 0.1.0 – a new high-performance computing code for exascale architectures

This paper introduces Omega, the Ocean Model for E3SM Global Applications. Omega is a new ocean model designed to run efficiently on high performance computing (HPC) platforms, including exascale heterogeneous architectures with accelerators, such as Graphics Processing Units (GPUs). Omega is written in C and uses the Kokkos performance portability library. These were chosen because they are well-supported and will help future-proof Omega for upcoming HPC architectures. Omega will eventually replace the Model for Prediction Across Scales-Ocean (MPAS-Ocean) in the US Department of Energy's (DOE's) Energy Exascale Earth System Model (E3SM). Omega runs on unstructured horizontal meshes with variable-resolution capability and implements the same horizontal discretization as MPAS-Ocean. This work documents the design and performance of Omega Version 0.1.0 (Omega-V0), which solves the shallow water equations with passive tracers and is the first step towards the full primitive equation ocean model. On Central Processing Units (CPUs), Omega-V0 is 1.4 times faster than MPAS-Ocean with the same configuration. Omega-V0 is more efficient on GPUs than CPUs on a per-watt basis – by a factor of 5.3 on Frontier and 3.6 on Aurora, two of the world's fastest exascale computers.

54 ENVIRONMENTAL SCIENCES

Compilation of Abstracts for SC12 Conference Proceedings

1 A Breakthrough in Rotorcraft Prediction Accuracy Using Detached Eddy Simulation; 2 Adjoint-Based Design for Complex Aerospace Configurations; 3 Simulating Hypersonic Turbulent Combustion for Future Aircraft; 4 From a Roar to a Whisper: Making Modern Aircraft Quieter; 5 Modeling of Extended Formation Flight on High-Performance Computers; 6 Supersonic Retropropulsion for Mars Entry; 7 Validating Water Spray Simulation Models for the SLS Launch Environment; 8 Simulating Moving Valves for Space Launch System Liquid Engines; 9 Innovative Simulations for Modeling the SLS Solid Rocket Booster Ignition; 10 Solid Rocket Booster Ignition Overpressure Simulations for the Space Launch System; 11 CFD Simulations to Support the Next Generation of Launch Pads; 12 Modeling and Simulation Support for NASA's Next-Generation Space Launch System; 13 Simulating Planetary Entry Environments for Space Exploration Vehicles; 14 NASA Center for Climate Simulation Highlights; 15 Ultrascale Climate Data Visualization and Analysis; 16 NASA Climate Simulations and Observations for the IPCC and Beyond; 17 Next-Generation Climate Data Services: MERRA Analytics; 18 Recent Advances in High-Resolution Global Atmospheric Modeling; 19 Causes and Consequences of Turbulence in the Earths Protective Shield; 20 NASA Earth Exchange (NEX): A Collaborative Supercomputing Platform; 21 Powering Deep Space Missions: Thermoelectric Properties of Complex Materials; 22 Meeting NASA's High-End Computing Goals Through Innovation; 23 Continuous Enhancements to the Pleiades Supercomputer for Maximum Uptime; 24 Live Demonstrations of 100-Gbps File Transfers Across LANs and WANs; 25 Untangling the Computing Landscape for Climate Simulations; 26 Simulating Galaxies and the Universe; 27 The Mysterious Origin of Stellar Masses; 28 Hot-Plasma Geysers on the Sun; 29 Turbulent Life of Kepler Stars; 30 Modeling Weather on the Sun; 31 Weather on Mars: The Meteorology of Gale Crater; 32 Enhancing Performance of NASAs High-End Computing Applications; 33 Designing Curiosity's Perfect Landing on Mars; 34 The Search Continues: Kepler's Quest for Habitable Earth-Sized Planets.

HPC

Position Paper - pFLogger: The Parallel Fortran Logging framework for HPC Applications

In the context of high performance computing (HPC), software investments in support of text-based diagnostics, which monitor a running application, are typically limited compared to those for other types of IO. Examples of such diagnostics include reiteration of configuration parameters, progress indicators, simple metrics (e.g., mass conservation, convergence of solvers, etc.), and timers. To some degree, this difference in priority is justifiable as other forms of output are the primary products of a scientific model and, due to their large data volume, much more likely to be a significant performance concern. In contrast, text-based diagnostic content is generally not shared beyond the individual or group running an application and is most often used to troubleshoot when something goes wrong. We suggest that a more systematic approach enabled by a logging facility (or logger) similar to those routinely used by many communities would provide significant value to complex scientific applications. In the context of high-performance computing, an appropriate logger would provide specialized support for distributed and shared-memory parallelism and have low performance overhead. In this paper, we present our prototype implementation of pFlogger a parallel Fortran-based logging framework, and assess its suitability for use in a complex scientific application.

Fortran

POSITION PAPER - pFLogger: The Parallel Fortran Logging Framework for HPC Applications

In the context of high performance computing (HPC), software investments in support of text-based diagnostics, which monitor a running application, are typically limited compared to those for other types of IO. Examples of such diagnostics include reiteration of configuration parameters, progress indicators, simple metrics (e.g., mass conservation, convergence of solvers, etc.), and timers. To some degree, this difference in priority is justifiable as other forms of output are the primary products of a scientific model and, due to their large data volume, much more likely to be a significant performance concern. In contrast, text-based diagnostic content is generally not shared beyond the individual or group running an application and is most often used to troubleshoot when something goes wrong. We suggest that a more systematic approach enabled by a logging facility (or 'logger') similar to those routinely used by many communities would provide significant value to complex scientific applications. In the context of high-performance computing, an appropriate logger would provide specialized support for distributed and shared-memory parallelism and have low performance overhead. In this paper, we present our prototype implementation of pFlogger - a parallel Fortran-based logging framework, and assess its suitability for use in a complex scientific application.

Clune, Thomas L.

pFlogger: The Parallel Fortran Logging Utility

In the context of high performance computing (HPC), software investments in support of text-based diagnostics, which monitor a running application, are typically limited compared to those for other types of IO. Examples of such diagnostics include reiteration of configuration parameters, progress indicators, simple metrics (e.g., mass conservation, convergence of solvers, etc.), and timers. To some degree, this difference in priority is justifiable as other forms of output are the primary products of a scientific model and, due to their large data volume, much more likely to be a significant performance concern. In contrast, text-based diagnostic content is generally not shared beyond the individual or group running an application and is most often used to troubleshoot when something goes wrong. We suggest that a more systematic approach enabled by a logging facility (or 'logger)' similar to those routinely used by many communities would provide significant value to complex scientific applications. In the context of high-performance computing, an appropriate logger would provide specialized support for distributed and shared-memory parallelism and have low performance overhead. In this paper, we present our prototype implementation of pFlogger - a parallel Fortran-based logging framework, and assess its suitability for use in a complex scientific application.

Clune, Tom

High-Performance Computing Optimization for Aladyn – Adaptive Neural Network Molecular Dynamics Mini-Application

This report provides a description and performance evaluation of the optimization techniques for high performance computing (HPC) implementation of the open source Computational Materials mini-application Aladyn (https://github.com/nasa/aladyn). Aladyn is a basic molecular dynamics code written in FORTRAN 2003, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. While achieving orders of magnitude faster computational performance than DFT, the ANN-based approach was still very computationally demanding compared to the conventional approach of using empirically fitted energy functions. After its initial development, Aladyn was evaluated and optimized by experts at the NASA Advanced Supercomputing (NAS) division to exploit modern supercomputer architectures. The code has been optimized for execution on multicore central processing units (CPUs), including Intel® Skylake microarchitecture, and on graphic accelerators, such as Nvidia® V100 graphic processing units (GPUs), using Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) programming interfaces. The optimization achieved a speedup of 4.7 times the baseline version on CPU performance and an additional 2.4 times on CPU+GPU performance. Atomistic computer simulations are a fundamental tool in materials research to model material properties form physics-based first principles. Atomic interaction, governed by Quantum Mechanics (QM) require sophisticated and highly computationally demanding mathematical models to calculate [1]. Classical methods use approximate functional forms, empirically fitted through a set of variable parameters to emulate atomic energies as direct functions of atomic coordinates [2]. While empirical potentials are computationally much simpler, allowing simulations of large-scale systems of up to a trillion (1012) atoms [3], they are substantially less accurate compared to quantum calculations and applicable only to very specific atomic configurations or predefined crystallographic phases. A recently suggested approach is to use heuristic machine learning methods [4], such as those based on Adaptive Neural Networks (ANNs) to predict atomic energies, after being trained on a sufficiently large database of QM-calculated structures [5,6]. This approach reduces significantly the computational complexity, allowing for simulations of orders of magnitude larger systems compared to QM-based methods without compromising accuracy. Still, compared to classical methods using empirical energy functions, ANN methods remain two- to three orders of magnitude more computationally demanding. Hence, the computational cost of simulations, together with the need for extensive training of ANNs, still makes the practical implementation of ANN-based methods quite challenging. The purpose of the Aladyn mini-application software [7], available as open source at https://github.com/nasa/aladyn, is to be a testbed for exploring possible optimization strategies to develop highly scalable parallel algorithms for ANN-based atomistic simulations. Aladyn is aimed at utilizing the architecture of the high-end modern highperformance computing (HPC) hardware based on multicore central processing units (CPUs) equipped with graphic processing unit (GPU) accelerators. Specifically, the goal is to optimize the performance on a single HPC compute node, before implementing scaling to multi-node parallelization using message passing interface (MPI). At the same time, the open source code of Aladyn can serve as a training model for students and professors in academia.

Yamakov, Vesselin I.