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At least 181 records · Page 10

A Queue Simulation Tool for a High Performance Scientific Computing Center

The NASA Center for Computational Sciences (NCCS) at the Goddard Space Flight Center provides high performance highly parallel processors, mass storage, and supporting infrastructure to a community of computational Earth and space scientists. Long running (days) and highly parallel (hundreds of CPUs) jobs are common in the workload. NCCS management structures batch queues and allocates resources to optimize system use and prioritize workloads. NCCS technical staff use a locally developed discrete event simulation tool to model the impacts of evolving workloads, potential system upgrades, alternative queue structures and resource allocation policies.

Spear, Carrie

Performance Evaluation Tools for Next Generation Scalable Computing Platforms

The Federal High Performance and Communications (HPCC) Program continue to focus on R&D in a wide range of high performance computing and communications technologies. Using its accomplishments in the past four years as building blocks towards a Global Information Infrastructure (GII), an Implementation Plan that identifies six Strategic Focus Areas for R&D has been proposed. This white paper argues that a new generation of system software and programming tools must be developed to support these focus areas, so that the R&D we invest today can lead to technology pay-off a decade from now. The Global Computing Infrastructure (GCI) in the Year 2000 and Beyond would consists of thousands of powerful computing nodes connected via high-speed networks across the globe. Users will be able to obtain computing in formation services the GCI with the ease of using a plugging a toaster into the electrical outlet on the wall anywhere in the country. Developing and managing the GO requires performance prediction and monitoring capabilities that do not exist. Various accomplishments in this field today must be integrated and expanded to support this vision.

Yan, Jerry C.

Reducing the Time and Cost of Testing Engines

Producing a new aircraft engine currently costs approximately $1 billion, with 3 years of development time for a commercial engine and 10 years for a military engine. The high development time and cost make it extremely difficult to transition advanced technologies for cleaner, quieter, and more efficient new engines. To reduce this time and cost, NASA created a vision for the future where designers would use high-fidelity computer simulations early in the design process in order to resolve critical design issues before building the expensive engine hardware. To accomplish this vision, NASA's Glenn Research Center initiated a collaborative effort with the aerospace industry and academia to develop its Numerical Propulsion System Simulation (NPSS), an advanced engineering environment for the analysis and design of aerospace propulsion systems and components. Partners estimate that using NPSS has the potential to dramatically reduce the time, effort, and expense necessary to design and test jet engines by generating sophisticated computer simulations of an aerospace object or system. These simulations will permit an engineer to test various design options without having to conduct costly and time-consuming real-life tests. By accelerating and streamlining the engine system design analysis and test phases, NPSS facilitates bringing the final product to market faster. NASA's NPSS Version (V)1.X effort was a task within the Agency s Computational Aerospace Sciences project of the High Performance Computing and Communication program, which had a mission to accelerate the availability of high-performance computing hardware and software to the U.S. aerospace community for its use in design processes. The technology brings value back to NASA by improving methods of analyzing and testing space transportation components.

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RIACS

The Research Institute for Advanced Computer Science (RIACS) was established by the Universities Space Research Association (USRA) at the NASA Ames Research Center (ARC) on June 6, 1983. RIACS is privately operated by USRA, a consortium of universities that serves as a bridge between NASA and the academic community. Under a five-year co-operative agreement with NASA, research at RIACS is focused on areas that are strategically enabling to the Ames Research Center's role as NASA's Center of Excellence for Information Technology. Research is carried out by a staff of full-time scientist,augmented by visitors, students, post doctoral candidates and visiting university faculty. The primary mission of RIACS is charted to carry out research and development in computer science. This work is devoted in the main to tasks that are strategically enabling with respect to NASA's bold mission in space exploration and aeronautics. There are three foci for this work: Automated Reasoning. Human-Centered Computing. and High Performance Computing and Networking. RIACS has the additional goal of broadening the base of researcher in these areas of importance to the nation's space and aeronautics enterprises. Through its visiting scientist program, RIACS facilitates the participation of university-based researchers, including both faculty and students, in the research activities of NASA and RIACS. RIACS researchers work in close collaboration with NASA computer scientists on projects such as the Remote Agent Experiment on Deep Space One mission, and Super-Resolution Surface Modeling.

Moore, Robert C.

Research and Technology 1997

This report highlights the challenging work accomplished during fiscal year 1997 by Ames research scientists and engineers. The work is divided into accomplishments that support the goals of NASA s four Strategic Enterprises: Aeronautics and Space Transportation Technology, Space Science, Human Exploration and Development of Space (HEDS), and Earth Science. NASA Ames Research Center s research effort in the Space, Earth, and HEDS Enterprises is focused i n large part to support Ames lead role for Astrobiology, which broadly defined is the scientific study of the origin, distribution, and future of life in the universe. This NASA initiative in Astrobiology is a broad science effort embracing basic research, technology development, and flight missions. Ames contributions to the Space Science Enterprise are focused in the areas of exobiology, planetary systems, astrophysics, and space technology. Ames supports the Earth Science Enterprise by conducting research and by developing technology with the objective of expanding our knowledge of the Earth s atmosphere and ecosystems. Finallv, Ames supports the HEDS Enterprise by conducting research, managing spaceflight projects, and developing technologies. A key objective is to understand the phenomena surrounding the effects of gravity on living things. Ames has also heen designated the Agency s Center of Evcellence for Information Technnlogv. The three cornerstones of Information Technology research at Ames are automated reasoning, human-centered computing, and high performance computing and networking.

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NASA’s Prototype Spectral Water Inversion Processor and Emulator (SWIPE): Towards Global Coastal and Inland Water Quality and Algal Biodiversity Monitoring

Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will provide updates on NASA’s prototype open-source aquatic modeling platform, Spectral Water Inversion Processor and Emulator (SWIPE), which is a comprehensive, multi-faceted modeling platform for both forward and inverse modeling of diverse aquatic ecosystems from the benthos to top-of-atmosphere (TOA). SWIPE provides a cohesive application which leverages recent advancements in particle modeling, Big Data analytics, and machine learning to develop a high-fidelity synthetic training ground for sensitivity studies and algorithm development for multispectral or upcoming hyperspectral missions. Some of the prominent features of SWIPE to be discussed include: 1. Advanced hyperspectral modeling of globally diverse algal and non-algal particles using a novel two-layer coated sphere scattering model and radiative transfer modeling, 2. Massive, highly detailed synthetic spectral libraries of Analysis-Ready-Data (ARD) which include spectral libraries of particle microphysics, water biogeophysical and optical properties, as well as surface and TOA reflectances at 1 nm resolution, 3. An ensemble of pre-built analytic, machine learning, and deep learning inversion algorithms for various water quality and biodiversity related retrieval parameters and uncertainty quantification, 4. Sensor-agnostic water quality inversion at wide ranging spatial and spectral resolutions including a codebase for seamless application in the Google Earth Engine and NASA Earth Exchange (NEX) for planetary scale analysis. SWIPE will be a fully open-source platform based in python with comprehensive documentation, tutorials, and options for distributed computing on high performance computing clusters or on single, local machines. Further, we will discuss how we envision SWIPE contributing towards a global analysis of coastal and inland water quality dynamics.

top-of-atmosphere (TOA)

Role of HPC in Advancing Computational Aeroelasticity

On behalf of the High Performance Computing and Modernization Program (HPCMP) and NASA Advanced Supercomputing Division (NAS) a study is conducted to assess the role of supercomputers on computational aeroelasticity of aerospace vehicles. The study is mostly based on the responses to a web based questionnaire that was designed to capture the nuances of high performance computational aeroelasticity, particularly on parallel computers. A procedure is presented to assign a fidelity-complexity index to each application. Case studies based on major applications using HPCMP resources are presented.

Guruswamy, Guru P.

PQML: Enabling the Predictive Reproducibility on NISQ Machines for Quantum ML Applications

Quantum computing represents a groundbreaking approach to high-performance computing. In recent years, quantum computers have progressed from single-qubit processors to systems boasting over 400 qubits. The presence of such a large number of qubits offers significant advantages, including enhanced computational speed—a capability beyond classical computing methods. However, the current stage of quantum computing is referred to as the noisy intermediate-scale quantum (NISQ) era. The existence of noise in this era presents challenges in testing quantum computing applications, leading to considerable variance in application results. Furthermore, the diverse noise characteristics observed across different machines exacerbate this issue, complicating the selection of the appropriate machine for application execution. In response to these challenges, we introduce our Predictive Quantum Machine Learning (PQML) tool. This tool is designed to predict outcomes when executing identical quantum machine learning applications—specifically, a critical suite of variational quantum algorithms—across various quantum computers during the NISQ era. This effort relies on data collected over a 12-month period. To the best of our knowledge, this study represents the first attempt to ensure reproducibility across quantum computers for complex circuits. Additionally, we have developed a model capable of forecasting the accuracy of quantum computers for variational quantum algorithms, with a particular emphasis on quantum machine learning as a case study.

Senapati, Priyabrata [Kent State University]

Distributed Computing Architecture for Image-Based Wavefront Sensing and 2 D FFTs

Image-based wavefront sensing (WFS) provides significant advantages over interferometric-based wavefi-ont sensors such as optical design simplicity and stability. However, the image-based approach is computational intensive, and therefore, specialized high-performance computing architectures are required in applications utilizing the image-based approach. The development and testing of these high-performance computing architectures are essential to such missions as James Webb Space Telescope (JWST), Terrestial Planet Finder-Coronagraph (TPF-C and CorSpec), and Spherical Primary Optical Telescope (SPOT). The development of these specialized computing architectures require numerous two-dimensional Fourier Transforms, which necessitate an all-to-all communication when applied on a distributed computational architecture. Several solutions for distributed computing are presented with an emphasis on a 64 Node cluster of DSPs, multiple DSP FPGAs, and an application of low-diameter graph theory. Timing results and performance analysis will be presented. The solutions offered could be applied to other all-to-all communication and scientifically computationally complex problems.

Smith, Jeffrey S.

Enabling Low-Overhead HT-HPC Workflows at Extreme Scale using GNU Parallel

GNU Parallel is a versatile and powerful tool for process parallelization widely used in scientific computing. This paper demonstrates its effective application in high-performance computing (HPC) environments, particularly focusing on its scalability and efficiency in executing large-scale high-throughput high-performance computing (HT-HPC) workflows. Through real-world examples, we highlight GNU Parallel’s performance across various HPC workloads, including GPU computing, container-based workloads, and node-local NVMe storage. Our results on two leading supercomputers, OLCF’s Frontier and NERSC’s Perlmutter, showcase GNU Parallel’s rapid process dispatching ability and its capacity to maintain low overhead even at extreme scales. We explore GNU Parallel’s application in massive parallel file transfers using a scheduled Data Transfer Node (DTN) cluster, emphasizing its broad utility in diverse scientific workflows. Beyond its direct application as a viable workflow manager, GNU Parallel can be employed in conjunction with other workflow systems as a "last-mile" parallelizing driver and as a quick prototyping tool to design and extract parallel profiles from application executions. We then argue that the potential for GNU Parallel to transform workflow management at extreme scales is substantial, paving the way for more efficient and effective scientific discoveries.

Maheshwari, Ketan

Priority-BF: A Task Manager for Priority-Based Scheduling

The increasing demand for computational resources, particularly in High-Performance Computing environments, necessitates to rethink how we handle job scheduling strategies. This work addresses the challenge of managing concurrent jobs with differing priorities on overloaded parallel systems, where strict QoS constraints are often difficult for users to define. Our solution relies on a qualitative description of priorities and pulls from two key approaches: the Easy-BF algorithm and the Conservative Backfilling algorithms. This solution improves the response time for high-priority jobs by 50% without affecting the overall system utilization. We show its applicability in several critical scenarios such as High-Performance Computing (HPC) resource management and in-situ computing.

Gainaru, Ana [ORNL]

Evaluating Application Characteristics for GPU Portability Layer Selection

GPUs have become the dominant source of computing power for high performance computing and are increasingly being used across the High Energy Physics computing landscape for a wide variety of tasks. Though NVIDIA is currently the main provider of GPUs, AMD and Intel are rapidly increasing their market share. As a result, programming using a vendor-specific language such as CUDA can significantly reduce deployment choices. There are a number of portability layers such as Kokkos, Alpaka, SYCL, OpenMP and std::par that permit execution on a broad range of GPU and CPU architectures, significantly increasing the flexibility of application programmers. However, each of these portability layers has its own characteristics, performing better at some tasks and worse at others, or placing limitations on aspects of the application. In this presentation, we report on a study of application and kernel characteristics that can influence the choice of a portability layer and show how each layer handles these characteristics. We have analyzed representative heterogeneous applications from CMS (patatrack and p2r), DUNE (Wire-Cell Toolkit), and ATLAS (FastCaloSim) to identify key application characteristics that have different behaviors for the various portability technologies. Using these results, developers can make more informed decisions on which GPU portability technology is best suited to their application.

Atif, Mohammad [Brookhaven]

2019 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is necessary to meet the continual challenging national workforce needs that arise as computational science and engineering problems continue to grow in scope and complexity. Computational science and engineering (CSE) is a multidisciplinary approach that uses scientific computing to solve practical problems methods and to supply technical tools across the scientific discovery spectrum. In particular, the DOE CSGF emphasizes high-performance computing (HPC) that enables CSE that advances science and engineering in directions important to the DOE and the economy in general. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines, such as biology and cosmology, have been transformed through the augmentation of scientific observation via HPC. At government laboratories and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, renewable energy, fusion-reactor design, additive manufacturing, nanomaterials for next-generation batteries and transistors, and turbine and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development — including continuing to rise to the challenge of pandemic-related research. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing.” An explosion in scientific and technological data has driven the need for increasingly sophisticated HPC to transform those data into scientific understanding. With access to more and more data and the proliferation of HPC, Machine Learning and Artificial Intelligence are experiencing a renaissance, complementing the now well-established use of computational simulation. Indeed, in its September 2020 subcommittee report on “AI/ML, Data Intensive Science and High-Performance Computing”, the DOE Advanced Scientific Computing Advisory Committee (ASCAC) explicitly called for a fellowship program to train computational and data scientists to tackle exascale and data-intensive computing challenges. This collaboration of empirical and theory-based modeling will increasingly inform federal policymakers whose decisions affect American society and future generations, and it requires highly skilled and intellectually agile computational scientists who can support the fast-moving DOE National Laboratory research environment. In fact, the DOE CSGF program has explicitly and consistently addressed this need.

97 MATHEMATICS AND COMPUTING

National research and education network

Some goals of this network are as follows: Extend U.S. technological leadership in high performance computing and computer communications; Provide wide dissemination and application of the technologies both to the speed and the pace of innovation and to serve the national economy, national security, education, and the global environment; and Spur gains in the U.S. productivity and industrial competitiveness by making high performance computing and networking technologies an integral part of the design and production process. Strategies for achieving these goals are as follows: Support solutions to important scientific and technical challenges through a vigorous R and D effort; Reduce the uncertainties to industry for R and D and use of this technology through increased cooperation between government, industry, and universities and by the continued use of government and government funded facilities as a prototype user for early commercial HPCC products; and Support underlying research, network, and computational infrastructures on which U.S. high performance computing technology is based.

Villasenor, Tony

Development of MOSCATO: A CFD-Level Electrochemistry and Corrosion Simulator for Molten Salt Systems

For both coolant and fueled variants of molten salt reactors (MSRs), the corrosion of structural materials is a significant challenge. The corrosion stems from chemical and electrochemical reactions initiated by fissile material, fission products, and impurities in the salt. Lower-fidelity models rely on empirical correlations for mass transfer, simplified lumped temperature profiles, and similar assumptions. They do not capture detailed spatial variations in complex geometries, creating the need for high-fidelity modeling to bridge this gap.As we approach the demonstration and possible deployment of MSRs in this decade, the development of a high-fidelity, high-performance simulator becomes imperative. To simulate the complex electrochemical environment and corrosion within molten salt systems, we have developed the Molten Salt Chemistry And TranspOrt (MOSCATO) code. This endeavor is comprised of three essential components. First, mass transfer equations are coupled with the Navier-Stokes equations in order to account for the transport of species in the salt. Second, the diffusion of alloy constituents, such as Cr, Fe, Ni, etc. is simulated within the structural metals. Third, the alloy and salt domains are coupled to account for the heterogeneous chemical and electrochemical reactions that occur at the salt-alloy interface.MOSCATO manages all three components within the framework of the highly scalable, open-source spectral element method computational fluid dynamics code Nek5000/NekRS. This integration enables MOSCATO to harness the immense computational power of modern high-performance computing resources, ensuring both high fidelity and computational speed.In addition to code development, we have initiated a comprehensive verification and validation campaign, utilizing data from diverse sources. First, MOSCATO's electrochemical solver was verified with reference numerical data. Then validation occurred against experiments: one of a thermal galvanic cell and the other for corrosion in flowing molten salt of FLiNaK (LiF-NaF-KF). This campaign verified and validated MOSCATO as a reliable tool for simulating electrochemical environments and corrosion in molten salt systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Human and Robotic Space Mission Use Cases for High-Performance Spaceflight Computing

Spaceflight computing is a key resource in NASA space missions and a core determining factor of spacecraft capability, with ripple effects throughout the spacecraft, end-to-end system, and mission. Onboard computing can be aptly viewed as a "technology multiplier" in that advances provide direct dramatic improvements in flight functions and capabilities across the NASA mission classes, and enable new flight capabilities and mission scenarios, increasing science and exploration return. Space-qualified computing technology, however, has not advanced significantly in well over ten years and the current state of the practice fails to meet the near- to mid-term needs of NASA missions. Recognizing this gap, the NASA Game Changing Development Program (GCDP), under the auspices of the NASA Space Technology Mission Directorate, commissioned a study on space-based computing needs, looking out 15-20 years. The study resulted in a recommendation to pursue high-performance spaceflight computing (HPSC) for next-generation missions, and a decision to partner with the Air Force Research Lab (AFRL) in this development.

use cases

Multidisciplinary High-Fidelity Analysis and Optimization of Aerospace Vehicles: Preliminary Results - Part 2

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity finite-element structural analysis and computational fluid dynamics aerodynamic analysis in a distributed, heterogeneous computing environment that includes high performance parallel computing. A software system has been designed and implemented to integrate a set of existing discipline analysis codes, some of them computationally intensive, into a distributed computational environment for the design of a high-speed civil transport configuration. The paper describes both the preliminary results from implementing and validating the multidisciplinary analysis and the results from an aerodynamic optimization. The discipline codes are integrated by using the Java programming language and a Common Object Request Broker Architecture compliant software product. A companion paper describes the formulation of the multidisciplinary analysis and optimization system.

Walsh, J. L.

[Earth and Space Sciences Project Services for NASA HPCC]

This grant supported the effort to characterize the problem domain of the Earth Science Technology Office's Computational Technologies Project, to engage the Beowulf Cluster Computing Community as well as the High Performance Computing Research Community so that we can predict the applicability of said technologies to the scientific community represented by the CT project and formulate long term strategies to provide the computational resources necessary to attain the anticipated scientific objectives of the CT project. Specifically, the goal of the evaluation effort is to use the information gathered over the course of the Round-3 investigations to quantify the trends in scientific expectations, the algorithmic requirements and capabilities of high-performance computers to satisfy this anticipated need.

Merkey, Phillip