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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Computer networking at SLR stations

There are several existing communication methods to deliver data from the satellite laser ranging (SLR) station to the SLR data center and back: telephonmodem, telex, and computer networks. The SLR scientific community has been exploiting mainly INTERNET, BITNET/EARN, and SPAN. The total of 56 countries are connected to INTERNET and the number of nodes is exponentially growing. The computer networks mentioned above and others are connected through E-mail protocol. The scientific progress of SLR requires the increase of communication speed and the amount of the transmitted data. The TOPEX/POSEIDON test campaign required to deliver Quick Look data (1.7 kB/pass) from a SLR site to SLR data center within 8 hours and full rate data (up to 500 kB/pass) within 24 hours. We developed networking for the remote SLR station in Helwan, Egypt. The reliable scheme for data delivery consists of: compression of MERIT2 format (up to 89 percent), encoding to ASCII Me (files); and e-mail sending from SLR station--e-mail receiving, decoding, and decompression at the center. We do propose to use the ZIP method for compression/decompression and the UUCODE method for ASCII encoding/decoding. This method will be useful for stations connected via telephonemodems or commercial networks. The electronics delivery could solve the problem of the too late receiving of the FR data by SLR data center.

Novotny, Antonin↗
DOE OSTI2024

Visual Analytics of Performance of Quantum Computing Systems and Circuit Optimization

Driven by potential exponential speedups in business, security, and scientific scenarios, interest in quantum computing is surging. This interest feeds the development of quantum computing hardware, but several challenges arise in optimizing application performance for hardware metrics (e.g., qubit coherence and gate fidelity). In this work, we describe a visual analytics approach for analyzing the performance properties of quantum devices and quantum circuit optimization. Our approach allows users to explore spatial and temporal patterns in quantum device performance data and it computes similarities and variances in key performance metrics. Detailed analysis of the error properties characterizing individual qubits is also supported. We also describe a method for visualizing the optimization of quantum circuits. The resulting visualization tool allows researchers to design more efficient quantum algorithms and applications by increasing the interpretability of quantum computations.

Chae, Junghoon↗
DOE OSTI2024

"Forward" Projects Boost U.S. Leadership in Advanced Computing and Artificial Intelligence

High-performance computing (HPC) has been an indispensable research tool for accessing physical realms difficult, or impossible, achieve with experiment alone. For several decades, the Department of Energy’s (DOE’s) Office of Science has deployed sophisticated HPC systems for solving the nation’s most pressing grand challenge problems in energy, climate change, and human health. In addition, DOE’s National Nuclear Security Administration (NNSA) has adeptly applied HPC in support of key national security objectives, such as nuclear science and stockpile modernization and stewardship. Over time, HPC systems have become increasingly more complex and capable, and as each new machine has come online, scientists and engineers have taken advantage of vast increases in compute power to accelerate scientific discoveries and engineering innovation.

42 ENGINEERING↗
DOE OSTI2024

ExaWorks software development kit: a robust and scalable collection of interoperable workflows technologies

Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be mapped, scheduled, and launched on different computing. That requires a software stack that enables users to code their workflows and automate resource management and workflow execution. Currently, there are many workflow technologies with diverse levels of robustness and capabilities, and users face difficult choices of software that can effectively and efficiently support their use cases on HPC machines, especially when considering the latest exascale platforms. We contributed to addressing this issue by developing the ExaWorks Software Development Kit (SDK). The SDK is a curated collection of workflow technologies engineered following current best practices and specifically designed to work on HPC platforms. We present our experience with (1) curating those technologies, (2) integrating them to provide users with new capabilities, (3) developing a continuous integration platform to test the SDK on DOE HPC platforms, (4) designing a dashboard to publish the results of those tests, and (5) devising an innovative documentation platform to help users to use those technologies. Our experience details the requirements and the best practices needed to curate workflow technologies, and it also serves as a blueprint for the capabilities and services that DOE will have to offer to support a variety of scientific heterogeneous workflows on the newly available exascale HPC platforms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

The Computing and Data Grid Approach: Infrastructure for Distributed Science Applications

With the advent of Grids - infrastructure for using and managing widely distributed computing and data resources in the science environment - there is now an opportunity to provide a standard, large-scale, computing, data, instrument, and collaboration environment for science that spans many different projects and provides the required infrastructure and services in a relatively uniform and supportable way. Grid technology has evolved over the past several years to provide the services and infrastructure needed for building 'virtual' systems and organizations. We argue that Grid technology provides an excellent basis for the creation of the integrated environments that can combine the resources needed to support the large- scale science projects located at multiple laboratories and universities. We present some science case studies that indicate that a paradigm shift in the process of science will come about as a result of Grids providing transparent and secure access to advanced and integrated information and technologies infrastructure: powerful computing systems, large-scale data archives, scientific instruments, and collaboration tools. These changes will be in the form of services that can be integrated with the user's work environment, and that enable uniform and highly capable access to these computers, data, and instruments, regardless of the location or exact nature of these resources. These services will integrate transient-use resources like computing systems, scientific instruments, and data caches (e.g., as they are needed to perform a simulation or analyze data from a single experiment); persistent-use resources. such as databases, data catalogues, and archives, and; collaborators, whose involvement will continue for the lifetime of a project or longer. While we largely address large-scale science in this paper, Grids, particularly when combined with Web Services, will address a broad spectrum of science scenarios. both large and small scale.

Johnston, William E.↗
NASA NTRS1995

File-System Workload on a Scientific Multiprocessor

Many scientific applications have intense computational and I/O requirements. Although multiprocessors have permitted astounding increases in computational performance, the formidable I/O needs of these applications cannot be met by current multiprocessors a their I/O subsystems. To prevent I/O subsystems from forever bottlenecking multiprocessors and limiting the range of feasible applications, new I/O subsystems must be designed. The successful design of computer systems (both hardware and software) depends on a thorough understanding of their intended use. A system designer optimizes the policies and mechanisms for the cases expected to most common in the user's workload. In the case of multiprocessor file systems, however, designers have been forced to build file systems based only on speculation about how they would be used, extrapolating from file-system characterizations of general-purpose workloads on uniprocessor and distributed systems or scientific workloads on vector supercomputers (see sidebar on related work). To help these system designers, in June 1993 we began the Charisma Project, so named because the project sought to characterize 1/0 in scientific multiprocessor applications from a variety of production parallel computing platforms and sites. The Charisma project is unique in recording individual read and write requests-in live, multiprogramming, parallel workloads (rather than from selected or nonparallel applications). In this article, we present the first results from the project: a characterization of the file-system workload an iPSC/860 multiprocessor running production, parallel scientific applications at NASA's Ames Research Center.

Kotz, David↗
DOE OSTI2024

Revolutionizing Neuromorphic Computing for Science (Brochure on the 2024 ASCR Workshop on Neuromorphic Computing for Science)

The ASCR basic research needs for Neuromorphic Computing for Science workshop was held in September 2024. The workshop brochure and report aim to inform and draft a set of grand challenges for advancing the field of neuromorphic computing and developing proof of principle neuromorphic circuits applicable for High Performance Computer (HPC) acceleration for scientific discovery, and brainstorm ideas needed for a successful, robust, and world leading basic research program. The resulting priority research directions are: (1) Neuromorphic computing circuit primitives; (2) Connectivity, communication, and hardware integration; (3) Neuroscience-derived dynamics and algorithms; and (4) Ecosystem for scalable neuromorphic co-design. Breakthroughs in understanding, designing, and prototyping the circuitry and simulation capabilities for a truly neuromorphic computer are essential to enable progress in the field.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Revolutionizing Neuromorphic Computing for Science (Report for the 2024 ASCR Workshop on Neuromorphic Computing for Science)

The ASCR basic research needs for Neuromorphic Computing for Science workshop was held in September 2024. The workshop brochure and report aim to inform and draft a set of grand challenges for advancing the field of neuromorphic computing and developing proof of principle neuromorphic circuits applicable for High Performance Computer (HPC) acceleration for scientific discovery, and brainstorm ideas needed for a successful, robust, and world leading basic research program. The resulting priority research directions are: (1) Neuromorphic computing circuit primitives; (2) Connectivity, communication, and hardware integration; (3) Neuroscience-derived dynamics and algorithms; and (4) Ecosystem for scalable neuromorphic co-design. Breakthroughs in understanding, designing, and prototyping the circuitry and simulation capabilities for a truly neuromorphic computer are essential to enable progress in the field.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and molecular properties. Furthermore, its excellent scalability with system complexity and near-perfect utilization of computational power make FN-DMC ideally positioned to leverage new advances in computing to address increasingly complex scientific problems. Even though the method is widely used as a computational gold standard, reproducibility across the numerous FN-DMC code implementations has yet to be demonstrated. This difficulty stems from the diverse array of DMC algorithms and trial wave functions, compounded by the method’s inherent stochastic nature. Here, this study represents a community-wide effort to assess the reproducibility of the method, affirming that yes, FN-DMC is reproducible (when handled with care). Using the water–methane dimer as the canonical test case, we compare results from eleven different FN-DMC codes and show that the approximations to treat the non-locality of pseudopotentials are the primary source of the discrepancies between them. In particular, we demonstrate that, for the same choice of determinantal component in the trial wave function, reliable and reproducible predictions can be achieved by employing the T-move, the determinant locality approximation, or the determinant T-move schemes, while the older locality approximation leads to considerable variability in results. These findings demonstrate that, with appropriate choices of algorithmic details, fixed-node DMC is reproducible across diverse community codes—highlighting the maturity and robustness of the method as a tool for open and reliable computational science.

Della Pia, Flaviano [Univ. of Cambridge (United Ki↗
DOE OSTI2025

US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure to the US Department of Energy (DOE) computing community. As a DOE Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through effective allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

An algorithm for generating all possible 2(p-q) fractional factorial designs and its use in scientific experimentation

An algorithm and computer program are presented for generating all the distinct 2(p-q) fractional factorial designs. Some applications of this algorithm to the construction of tables of designs and of designs for nonstandard situations and its use in Bayesian design are discussed. An appendix includes a discussion of an actual experiment whose design was facilitated by the algorithm.

Sidik, S. M.↗
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↗
DOE OSTI2025

Collaborative: in situ visual analytics technologies for extreme scale combustion simulations

This project aims to drastically enhance the usability of in situ analysis and visualization for extreme-scale scientific simulations. Current exascale computing capabilities promise to offer greater predictive ability of simulations and to further push the frontiers of science and technology. However, to validate the simulation output at extreme scale, examine the modeled phenomena, and discover previously unknowns from the output data, the output must be reduced or transformed in situ as it is being generated during the simulation such that the amount of data to examine and store is kept to a minimum. Such in situ approaches allow us to process and analyze the data and any embedded geometry to an extent that would be prohibitively expensive, if not impossible, to perform as a post hoc task. While in situ processing has been demonstrated to be a feasible and promising approach, its full potential has not yet been leveraged. In this project, we have developed comprehensive enhancements to in situ technology based on probability distributions in data. Our research focuses on jointly developing new ways of interacting with massive statistical samples while creatively utilizing new state-of-the-art computational resources to push the boundaries of in situ exploration. Moreover, we have developed new time-dependent techniques to enable previously unattainable capabilities in areas such as intelligent simulation steering and precise feature identification. We have experimentally studied our design and implementation at NERSC and OLCF, and are able to leverage existing in situ infrastructures whenever possible. While the exemplar in this project is combustion, many other fields for which turbulent transport is important, e.g., fusion, climate, astrophysics among others, encounter similar issues as simulations scale up to the exascale. This project shows its potential to generate high impact on DOE missions since the resulting technology promises to improve scientists’ ability to rapidly and correctly interpret and tune extreme-scale simulations, leading to new scientific understanding and advancements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Automatic data partitioning on distributed memory multicomputers

Distributed-memory parallel computers are increasingly being used to provide high levels of performance for scientific applications. Unfortunately, such machines are not very easy to program. A number of research efforts seek to alleviate this problem by developing compilers that take over the task of generating communication. The communication overheads and the extent of parallelism exploited in the resulting target program are determined largely by the manner in which data is partitioned across different processors of the machine. Most of the compilers provide no assistance to the programmer in the crucial task of determining a good data partitioning scheme. A novel approach is presented, the constraints-based approach, to the problem of automatic data partitioning for numeric programs. In this approach, the compiler identifies some desirable requirements on the distribution of various arrays being referenced in each statement, based on performance considerations. These desirable requirements are referred to as constraints. For each constraint, the compiler determines a quality measure that captures its importance with respect to the performance of the program. The quality measure is obtained through static performance estimation, without actually generating the target data-parallel program with explicit communication. Each data distribution decision is taken by combining all the relevant constraints. The compiler attempts to resolve any conflicts between constraints such that the overall execution time of the parallel program is minimized. This approach has been implemented as part of a compiler called Paradigm, that accepts Fortran 77 programs, and specifies the partitioning scheme to be used for each array in the program. We have obtained results on some programs taken from the Linpack and Eispack libraries, and the Perfect Benchmarks. These results are quite promising, and demonstrate the feasibility of automatic data partitioning for a significant class of scientific application programs with regular computations.

Gupta, Manish↗
NASA NTRS2015

Citizen Science

Scientists and engineers constantly face new challenges, despite myriad advances in computing. More sets of data are collected today from earth and sky than there is time or resources available to carefully analyze them. Some problems either don't have fast algorithms to solve them or have solutions that must be found among millions of options, a situation akin to finding a needle in a haystack. But all hope is not lost: advances in technology and the Internet have empowered the general public to participate in the scientific process via individual computational resources and brain cognition, which isn't matched by any machine. Citizen scientists are volunteers who perform scientific work by making observations, collecting and disseminating data, making measurements, and analyzing or interpreting data without necessarily having any scientific training. In so doing, individuals from all over the world can contribute to science in ways that wouldn't have been otherwise possible.

distributed computing↗
DOE OSTI2024

Empowering Scientific Innovation Through An Integrated Research Infrastructure: The Role of the Advanced Computing Ecosystem

As the landscape of computational science evolves, the Department of Energy (DOE) is reimagining the roles of its large-scale computing facilities to meet emerging research challenges. The Integrated Research Infrastructure (IRI) program aims to transform how experiments are designed, conducted, and shared, with significant impacts on all stakeholders. In response, the Oak Ridge Leadership Computing Facility (OLCF) has established the Advanced Computing Ecosystem (ACE), a strategic framework to prepare its hardware, software, and experimental capabilities for the IRI era. ACE focuses on integrating novel compute environments, orchestrating advanced workflows, and developing foundational technologies, ensuring a seamless transition to IRI while accelerating scientific discovery. This paper outlines ACE's role in advancing OLCF's mission and its impact on the future of computational science.

Widener, Patrick↗