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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

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↗
NASA NTRS2022

New Rover Conops with High-Performance Onboard Computing: Give Up Raw Data to Reduce Ops Cost and Do More Science

A major portion of time during the tactical operation of Mars rovers is spent for selecting, prioritizing, and coordinating sciences and engineering activities such that they fit within resource constraints, including the downlink data volume, energy, and time. In particular, the downlink data volume constraint is getting particularly tighter in recent missions because modern instruments produce increasingly high data volume while the communication bandwidth is essentially bounded by the law of physics. Tactical operation would be substantially simplified, hence the operation cost could be reduced, if the data volume constraint is relaxed or even removed. In this abstract, we propose a new operation paradigm for achieving this goal. The key observation is that, both in science and engineering applications, the bit size of raw data is typically much greater than the volume of processed information that is needed for scientific or engineering analysis. For example, a full-resolution image from Mastcam-Z, the main science camera on Perseverance, is about 700 kB in volume and we downlinked 29,685 images up to Sol 243, totaling ~20 GB of data. But of course, scientists do not use every pixel of these images; what they really look for in the images are geological features, typically represented by specific geometric configurations or textures. An end product after processing hundreds of Mascam-Z images could be a single geological map summarizing the spatial distribution of the features. For another example, a 100-meter drive of Perseverance produces 7-12 MB of drive telemetry, which records every detail of the rover's motion at 8 Hz, including position, attitude, steering angles, encoder readings, motor currents and many other information. But what the ground engineers eventually pay attention to is the signs of anomaly, such as excessive motor currents or high slip; if a drive is nominal, the vast majority of this data is unused. What if, then, we process the raw data onboard and only downlink the processed data that is relevant to scientific or engineering analyses, such as a list of detected science features (with cropped images) or a list of potential signs of anomaly while driving? A major roadblock for such onboard, high-level information processing has been the onboard computational resource. RAD750, the main onboard computer of Perseverance, is obviously not sufficient for performing complex image or signal processing such as object detection, semantic segmentation, or anomaly detection. Interestingly, RAD750 is not the best processor that Perseverance has; Qualcomm's Snapdragon 801, a modern mobile processor, is on her Heli Base Station, a device for communicating with Mars Helicopter Ingenuity; also, Intel's Atom E3845 processors are on engineering cameras. In the reminder of this paper, we will introduce two particular uses cases of these high-performance co-processors (meaning auxiliary CPU, GPU, or other types of processors that are separate from the main processor that runs the main flight software) for lowering operation cost and accommodating more science activities for a given communication constraint.

Didier, A.↗
DOE OSTI2026

Frontier Job-Centric Telemetry Dataset

Comprehensive analysis of high-performance computing (HPC) systems requires linking workload execution to system behavior. This kind of analysis is vital for diagnosing performance issues, managing capacity, detecting anomalous workloads, and understanding how applications interact with system hardware. This job-centric telemetry dataset unifies scheduler job records with node-level measurements, enabling direct association between workloads and their corresponding power, thermal, and performance characteristics. It contains sanitized, scheduler related metadata for 152,400 individual jobs that ran on the Frontier supercomputer and ended on selected days throughout 2024 and 2025, a subpopulation of ~6.8% of the total number of allocated jobs with non-zero run time on the system over that same period. Each is linked with files that contain telemetry time series records of the power utilization and temperature behavior of its allocated nodes and their processors during the run time of the job. Where available, a portion of the job files also contain network performance time series. Jobs are sampled from select days that reflect normal levels of user activity and possess job size distributions with large numbers of leadership class jobs (>20% of Frontier nodes). Jobs in this dataset attempt to best represent successful user workflows.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1982

Models for evaluating the performability of degradable computing systems

Recent advances in multiprocessor technology established the need for unified methods to evaluate computing systems performance and reliability. In response to this modeling need, a general modeling framework that permits the modeling, analysis and evaluation of degradable computing systems is considered. Within this framework, several user oriented performance variables are identified and shown to be proper generalizations of the traditional notions of system performance and reliability. Furthermore, a time varying version of the model is developed to generalize the traditional fault tree reliability evaluation methods of phased missions.

Wu, L. T.↗
NASA NTRS1990

Stanford/NASA-Ames Center of Excellence in model-based human performance

The human operator plays a critical role in many aeronautic and astronautic missions. The Stanford/NASA-Ames Center of Excellence in Model-Based Human Performance (COE) was initiated in 1985 to further our understanding of the performance capabilities and performance limits of the human component of aeronautic and astronautic projects. Support from the COE is devoted to those areas of experimental and theoretical work designed to summarize and explain human performance by developing computable performance models. The ultimate goal is to make these computable models available to other scientists for use in design and evaluation of aeronautic and astronautic instrumentation. Within vision science, two topics have received particular attention. First, researchers did extensive work analyzing the human ability to recognize object color relatively independent of the spectral power distribution of the ambient lighting (color constancy). The COE has supported a number of research papers in this area, as well as the development of a substantial data base of surface reflectance functions, ambient illumination functions, and an associated software package for rendering and analyzing image data with respect to these spectral functions. Second, the COE supported new empirical studies on the problem of selecting colors for visual display equipment to enhance human performance in discrimination and recognition tasks.

Wandell, Brian A.↗
NASA NTRSDate not supplied

QuAIL Tools for Benchmarking, Analysis and Quantum Algorithm Development

HybridQ and PySA are open-source tools developed by NASA to support benchmarking, analysis and quantum algorithm development in areas such as simulation, optimization and machine learning. These tools leverage classical hardware acceleration via high-performance computing CPU and GPU architectures and support high-performance computing. HybridQ is a highly extensible platform designed to provide a common framework to integrate multiple state-of-the-art techniques to simulate large scale quantum circuits. PySA is an extensible platform to optimize a classical cost function. We provide an outline of each of these open-source tools and highlight projects using each of these tools in contexts of simulation, optimization and machine learning.

Quantum Computing↗
NASA NTRS2007

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↗
NASA NTRS1980

On evaluating the performability of degradable computing systems

If the performance of a computing system is 'degradable', performance and reliability issues must be dealt with simultaneously in the process of evaluating system effectiveness. For this purpose, a unified measure, called 'performability', is introduced and the foundations of performability modeling and evaluation are established. A critical step in the modeling process is the introduction of a 'capability function' which relates low-level system behavior to user-oriented performance levels. A hierarchical modeling scheme is used to formulate the capability function and capability is used, in turn, to evaluate performability. These techniques are then illustrated for a specific application: the performability evaluation of an aircraft computer in the environment of an air transport mission.

Meyer, J. F.↗
NASA NTRS1979

Parametric instabilities in computer system performance prediction

Results found by applying a predictive model to a particular system (University of Maryland Computer Center's Univak 1100/42) are presented. Given the correct model parameters, the system performance from the model closely matches the actual system observed performance. However, the major application of system modeling is the prediction of performance when the system configuration is altered. The prediction results presented are disappointing but useful with the major problem traced to parametric instabilities. The interactions between the user demands, overhead activities, and device characteristics must be considered in developing system models.

Dowdy, L. W.↗
DOE OSTI2025

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Computer Simulation Performed for Columbia Project Cooling System

This demo shows a high-fidelity simulation of the air flow in the main computer room housing the Columbia (10,024 intel titanium processors) system. The simulation asseses the performance of the cooling system and identified deficiencies, and recommended modifications to eliminate them. It used two in house software packages on NAS supercomputers: Chimera Grid tools to generate a geometric model of the computer room, OVERFLOW-2 code for fluid and thermal simulation. This state-of-the-art technology can be easily extended to provide a general capability for air flow analyses on any modern computer room. Columbia_CFD_black.tiff

Ahmad, Jasim↗
DOE OSTI2025

An Efficient Storage-Driven Machine Learning Model for Performance in the Era of Multimodal Scientific Data

Scientific workflows are increasingly relying on machine learning (ML), simulation, and hybrid techniques to predict, understand, and optimize the behavior of complex experiments. High-performance computing has greatly improved researchers’ ability to acquire diverse data modalities in these workflows. Recent studies suggest that the performance of machine learning models can be improved by integrating data from various sources. Unfortunately, these workloads pose unprecedent pressure on the network storage to meet the demands associated with accessing these multimodal data. To mitigate the impact of intensive IO, we propose a solution that utilizes a multi-tier High-Performance Computing (HPC) distributed storage and data processing framework, placing computation where the data resides for better performance. By adopting this project, the scientific community will gain new opportunities to explore multimodal storage-driven possibilities, integrating multiple scientific data sources with advanced streaming frameworks. Additionally, our framework effectively utilizes computing resources and bridges the gaps identified by HPC experts. Our proposed approach tackles scalability and persistence challenges by leveraging native persistency, which has posed difficulties in traditional approaches. Furthermore, we seek to enhance fault-tolerance and load-balance of computations by leveraging real-time streaming in diverse scientific computing environments, thereby propelling advanced scientific computing research into the next generation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Scaling the memory wall using mixed-precision - HPG-MxP on an exascale-class machine

Mixed-precision algorithms have been proposed as a way for scientific computing to benefit from some of the gains seen for AI on recent high performance computing (HPC) platforms. A few applications dominated by dense matrix operations have seen substantial speedups by utilizing low precision formats such as FP16. However, a majority of scientific simulation applications are memory bandwidth limited. Beyond preliminary studies, the practical gain from using mixed-precision algorithms on a given high-performance computing (HPC) system is largely unclear. The High Performance GMRES Mixed Precision (HPG-MxP) benchmark has been proposed to measure the useful performance of a HPC system on sparse matrix-based mixed-precision applications. In this work, we present an implementation of the HPG-MxP benchmark for an exascale system and describe our algorithm enhancements. We show for the first time a speedup of 1.6x using a combination of double- and single-precision keeping the same residual level on modern GPU-based supercomputers.

Kashi, Aditya [ORNL] (ORCID:0000000325893792)↗
NASA NTRSDate not supplied

Large-Scale Computational Fluid Dynamics Simulations of Aerospace Configurations on the Frontier Exascale System

Over the past fifteen years, the high performance computing landscape has undergone a seismic shift in both hardware and software paradigms, which has been necessary to realize a 1000× leap in computational performance while meeting stringent constraints on power consumption. A historical overview of a long-term research effort aimed at addressing these challenges within the context of a commonly-used aerospace computational fluid dynamics (CFD) application is presented. Details of the current implementation as they relate to the new era of exascale-relevant hardware architectures and programming models are described. Two large-scale simulations of aerospace configurations are performed using the entire Frontier exascale system, currently ranked as the most powerful supercomputing system in the world. The effort serves to address a 2024 milestone posed a decade ago by the seminal CFD Vision 2030 Study.

Eric J Nielsen↗
DOE OSTI2025

Bridging paradigms: Designing for HPC-Quantum convergence

Here, this paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for scientific computing, their effective integration with classical HPC systems presents significant technical challenges. We propose a hardware-agnostic software framework that supports both current noisy intermediate-scale quantum devices and future fault-tolerant quantum computers, while maintaining compatibility with existing HPC workflows. The architecture includes a quantum gateway interface, standardized APIs for resource management, and robust scheduling mechanisms to handle both simultaneous and interleaved quantum–classical workloads. Key innovations include: (1) a unified resource management system that efficiently coordinates quantum and classical resources, (2) a flexible quantum programming interface that abstracts hardware-specific details, (3) A Quantum Platform Manager API that simplifies the integration of various quantum hardware systems, and (4) a comprehensive tool chain for quantum circuit optimization and execution. We demonstrate our architecture through implementation of quantum–classical algorithms, including the variational quantum linear solver, showcasing the framework’s ability to handle complex hybrid workflows while maximizing resource utilization. This work provides a foundational blueprint for integrating QC capabilities into existing HPC infrastructures, addressing critical challenges in resource management, job scheduling, and efficient data movement between classical and quantum resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Utilizing Distributed Heterogeneous Computing with PanDA in ATLAS

In recent years, advanced and complex analysis workflows have gained increasing importance in the ATLAS experiment at CERN, one of the large scientific experiments at LHC. Support for such workflows has allowed users to exploit remote computing resources and service providers distributed worldwide, overcoming limitations on local resources and services. The spectrum of computing options keeps increasing across the Worldwide LHC Computing Grid (WLCG), volunteer computing, high-performance computing, commercial clouds, and emerging service levels like Platform-as-a-Service (PaaS), Container-as-a-Service (CaaS) and Function-as-a-Service (FaaS), each one providing new advantages and constraints. Users can significantly benefit from these providers, but at the same time, it is cumbersome to deal with multiple providers, even in a single analysis workflow with fine-grained requirements coming from their applications’ nature and characteristics. In this paper, we will first highlight issues in geographically-distributed heterogeneous computing, such as the insulation of users from the complexities of dealing with remote providers, smart workload routing, complex resource provisioning, seamless execution of advanced workflows, workflow description, pseudointeractive analysis, and integration of PaaS, CaaS, and FaaS providers. We will also outline solutions developed in ATLAS with the Production and Distributed Analysis (PanDA) system and future challenges for LHC Run4.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

HPC-FAIR: A Framework Managing Data and AI Models for Analyzing and Optimizing Scientific Applications

The increasing reliance on machine learning (ML) to analyze and optimize large-scale scientific applications on supercomputers faces a significant bottleneck: the lack of readily available, high-quality training datasets and the difficulty in reusing existing AI models. This project was motivated by the urgent need to address the “FAIR” principles (Findability, Accessibility, Interoperability, Reusability) for both training datasets and AI models in the high-performance computing (HPC) domain. The project developed HPC-FAIR, a high-performance computing data management framework designed to centralize HPC-related datasets and AI models within a unified hub. To ensure interoperability, the framework established a standardized representation and vocabulary (ontology) for both data and models. HPC-FAIR also implemented automated workflows to streamline data processing, model access, and benchmarking. Additionally, the project focused on optimizing data harnessing efficiency through advanced techniques like deep reuse and compression-based analytics.

97 MATHEMATICS AND COMPUTING↗