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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

SYMBIOSYS: A Methodology for Performance Analysis of Composable HPC Data Services

Microservices are a powerful new way of building, customizing, and deploying distributed services owing to their flexibility and maintainability. Several large-scale distributed platforms have emerged to serve the growing needs of data-centric workloads and services in commercial computing. Concurrently, high-performance computing (HPC) systems and software are rapidly evolving to meet the demands of diversified applications and heterogeneity. The interplay of hardware factors, software configuration parameters, and the flexibility offered with a microservice architecture makes it nontrivial to estimate the optimal service instantiation for a given application workload. Further, this problem is exacerbated when considering that these services operate in a dynamic and heterogeneous HPC environment. An optimally integrated service can be vastly more performant than a haphazardly integrated one. Existing performance tools for HPC either fail to understand the request-response model of communication inherent to microservices or they operate within a narrow scope, limiting the insight that can be gleaned from employing them in isolation. We propose a methodology for integrated performance analysis of HPC microservices frameworks and applications called SYMBIOSYS. We describe its design and implementation within the context of the Mochi framework. This integration is achieved by combining distributed callpath profiling and tracing with a performance data exchange strategy that collects fine-grained, low-level metrics from the RPC communication library and network layers. The result is a portable, low-overhead performance analysis setup that provides a holistic profile of the dependencies among microservices and how they interact with the Mochi RPC software stack. Using HEPnOS, a production-quality Mochi data service, we demonstrate the low-overhead operation of SYMBIOSYS at scale and use it to identify the root causes of poorly performing service configurations.

microservices↗
DOE OSTI2023

Analyzing File Access Patterns on Large-Scale HPC Systems: Opportunities for File Prefetching

This paper explores the potential opportunities for implementing file prefetching techniques on large-scale high-performance computing (HPC) systems. Specifically, we investigate the file access patterns of various applications across multiple scientific domains using two years' worth of Darshan I/O traces obtained from the Summit supercomputer. We identify recurring trends and patterns which indicate that prefetching can be effectively leveraged to improve data access performance on HPC systems. This study serves as a valuable reference for system architects and developers in the HPC community, providing insights into the opportunities and challenges associated with enabling file prefetching on large-scale HPC systems.

Karimi, Ahmad Maroof↗
DOE OSTI2024

Building a Diverse and Inclusive HPC Community for Mission-Driven Team Science

The U.S. Department of Energy (DOE) has been a long-standing leader in driving advances in science and technology through advanced computing. However, DOE laboratories are currently facing urgent workforce challenges, particularly in terms of underrepresentation from key communities, including people of color, women, persons with disabilities, and first-generation scholars. This paper introduces the work carried out as part of the Exascale Computing Project (ECP) Broadening Participation Initiative, which aims to address workforce challenges through a lens that considers the distinct needs and culture of high-performance computing (HPC). The work focuses on three main efforts: hosting Intro to HPC Bootcamps, expanding the Sustainable Research Pathways (SRP) internship and workforce development program, and establishing an HPC Workforce Development and Retention Action Group. Finally, the paper also highlights various workforce efforts throughout the computational science community and explores opportunities for future work aimed at broadening participation in HPC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Quantum/AI Topology-Aware Latency-Adaptive HPC Workflow Scheduling Optimization

The growing demand for more powerful high-performance computing (HPC) systems has led to a steady rise in energy consumption by supercomputing worldwide. This study is focused on comparing our Application-Topology Mapper (ATMapper) to the popular Simple Linux Utility for Resource Management (SLURM) for the purpose of exploring methods that can further optimize job-scheduling within HPC systems. ATMapper is an Artificial-Intelligence based approach to job-scheduling that is currently being enhanced with quantum annealing (QA) to generate optimal schedules faster. We are applying QA to speedup our ATMapper process to achieve higher computing efficiency, thereby reducing HPC energy consumption. Here, we examine how four job-scheduling approaches perform in processor node assignment when using an example network architecture of 4 interconnected nodes. Using a specialized script, we are assessing the schedule of a computation flow with 11 interdependent tasks. The data movements among nodes were tracked to count for the number of interactions (network hops) between nodes needed to complete the tasks. The total number of hops and the job completion time were then used to quantify the efficiency of the different mapping approaches. In addition to SLURM, we also compare our ATMapper to the QA-enabled LBNL TIGER and the D-Wave Distributed Computing processor assignment approaches. The preliminary results showed that our topology-aware, latency-adaptive ATMapper is significantly more efficient when compared to the other scheduling approaches due to its load-imbalance network allocation. The scheduler displayed a computing efficiency of 53% by performing significantly fewer network hops than its alternatives. By reducing the number of hops, ATMapper was able to perform all 11 tasks by using only 3 nodes out of given 4. This research indicates the potential to use QA/AI for HPC job-scheduling. Later, we will test a SLURM simulator program to draw further comparisons on the effectiveness of ATMapper's scheduling approach. The results of this comparison will serve as a baseline for later improving SLURM's performance using a QA-enhanced ATMapper approach.

Caraveo, Braulio [University of Huston - Clear Lak↗
DOE OSTI2022

Lifting and Dropping VMs to Dynamically Transition Between Time- and Space-sharing for Large-Scale HPC Systems

As HPC environments increasingly integrate with edge based systems, system architectures will need to handle a broader class of workloads and scheduling requirements. One result of this shift will be the need to simultaneously support bulk-synchronous parallel (BSP) and on-demand service based applications on the same infrastructure. This in turn will require that future resource management approaches utilize both space-shared as well as time-shared resource scheduling strategies. In this work we introduce the concept of "VM-lifting'' (and its inverse "VM-Dropping'') which allows dynamically switching an HPC workload between space-shared and time-shared scheduling regimes. Our work targets co-kernel based HPC system software environments, in which multiple specialized OS kernels execute natively on dedicated physical resource partitions inside a single compute node. With VM-lifting, a native co-kernel can be migrated at runtime to and from locally hosted Virtual Machine Environments due to changing scheduling requirements of the node. This allows an HPC node to be dynamically (re-)configured as either a time-shared Infrastructure-as-a-Service (IaaS) resource or a dedicated space shared resource based on the current workload demands. We have implemented this approach in the context of the Hobbes Exascale System Software stack and have demonstrated that a node can be reconfigured with minimal impact on the running applications.

Gordon, Nick↗
DOE OSTI2023

Mastering HPC Runtime Prediction: From Observing Patterns to a Methodological Approach

The continual expansion of high-performance computing (HPC) brings with it an increasing need for efficiency. Heavy investment in energy, hardware, and software infrastructure to support peta- and exascale computing requires the optimization of existing systems and, wherever possible, the discernment and adoption of best-practices towards these goals. Such is the case for runtime prediction. When a job is submitted to an HPC system, an estimate of its runtime is provided by the user in the form of "requested wallclock". Error in this user-provided estimate can lead to jobs being prematurely killed by the scheduler, increased wait time on the queue, and decreased system utilization. More than fifteen years of research has been directed at mitigating these effects by using data-driven runtime predictions. Codified here is a set of commonalities and insights emerging from this body of work, which we present as recommendations and best practices. These practices are combined into a methodological approach described and evaluated on an 11-million-job dataset from the National Renewable Energy Laboratory's petascale HPC system, Eagle. This dataset and the accompanying codebase have been released to the public domain for the benefit of the wider HPC research community.

high performance computing↗
DOE OSTI2026

HPC ODA Commons [SWR-26-003]

HPC ODA Commons is a community-driven platform for standardizing HPC operational data analytics. HPC sites generate enormous volumes of operational data - scheduler logs, accounting records, monitoring streams - but turning that data into actionable insight is needlessly hard. Each site builds bespoke parsers, schemas, and evaluation pipelines. Results can't be compared across institutions. Promising analytics ideas stay siloed because there's no shared language for describing the data, the experiments, or the outcomes. HPC ODA Commons fixes this by establishing community-governed contracts - versioned schemas, canonical artifacts, and benchmark recipes - that make ODA workflows discoverable, reproducible, and comparable. It pairs these standards with a practical, CLI-first toolkit that lets operators and researchers go from raw logs to standardized results without sending data off-cluster.

Menear, Kevin [National Laboratory of the Rockies ↗
DOE OSTI2022

Market Research Study: Applications of ASCR HPC Software

The Department of Energy (DOE)’s Advanced Scientific Computing Research (ASCR) program has developed hundreds of software tools for high performance computing (HPC). Although many HPC hardware advances have permeated the market, such as CPUs, GPUs, TPUs and ASICs, the software developed by DOE for different HPC applications has not necessarily been mined. The DOE is interested in making its HPC software portfolio available to the public in order to maximize the value of what has been developed.

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↗
DOE OSTI2025

Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation

As computational demands in scientific applications continue to rise, hybrid high-performance computing (HPC) systems integrating classical and quantum computers (HPC-QC) are emerging as a promising approach to tackling complex computational challenges. One critical area of application is Hamiltonian simulation, a fundamental task in quantum physics and other large-scale scientific domains. This paper investigates strategies for quantum-classical integration to enhance Hamiltonian simulation within hybrid supercomputing environments. By analyzing computational primitives in HPC allocations dedicated to these tasks, we identify key components in Hamiltonian simulation workflows that stand to benefit from quantum acceleration. To this end, we systematically break down the Hamiltonian simulation process into discrete computational phases, highlighting specific primitives that could be effectively offloaded to quantum processors for improved efficiency. Our empirical findings provide insights into system integration, potential offloading techniques, and the challenges of achieving seamless quantum-classical interoperability. We assess the feasibility of quantum-ready primitives within HPC workflows and discuss key barriers such as synchronization, data transfer latency, and algorithmic adaptability. These results contribute to the ongoing development of optimized hybrid solutions, advancing the role of quantum-enhanced computing in scientific research.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Visual HPC Workflows for the Analysis of System Dynamics Models

Visual analytics supported by high performance computing (HPC) accelerates and enhances the discovery, exploration, and analysis of causal patterns in complex system dynamics (SD) models. We present a suite of visualization-assisted ensemble-based techniques for hypothesis generation and testing, and for sensitivity analysis. By employing HPC to provide parallel, on-demand simulation of SD models, one can “steer” an ensemble of simulated scenarios in real time as one first formulates and then informally tests those hypotheses: this provides rapid feedback for analysts to refine their understanding of the causal relationships emergent from a model. Such understandings can be followed and augmented by rigorous application of statistical methods, namely global variance-based sensitivity analysis, Monte-Carlo filtering, adaptive regional sensitivity analysis, and self-organized maps: here timely computation relies on HPC, while effective presentation emphasizes high-dimensional multivariate data visualization. Immersive visualization in virtual 3D environments provides an excellent adjunct to the traditional 2D graphics typically used for SD models, as it generates an embodied understanding of model behavior and facilitates an active, collaborative critique of model structure and output. Finally, we summarize prospects for HPC-enabled visual analytics applied to SD modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

An HPC-Based Hydrothermal Finite Element Simulator for Modeling Underground Response to Community-Scale Geothermal Energy Production

Geothermal heat, as renewable energy, shows great advantage with respect to its environmental impact due to its significantly lower CO2 emissions than conventional fossil fuel. Open and closed-loop geothermal heat pumps, which utilize shallow geothermal systems, are an efficient technology for cooling and heating buildings, especially in urban areas. Integrated use of geothermal energy technologies for district heating, cooling, and thermal energy storage can be applied to optimize the subsurface for communities to provide them with multiple sustainable energy and community resilience benefits. The utilization of the subsurface resources may lead to a variation in the underground environment, which might further impact local environmental conditions. However, very few simulators can handle such a highly complex set of coupled computations on a regional or city scale. We have developed high-performance computing (HPC) based hydrothermal finite element (FE) simulator that can simulate the subsurface and its hydrothermal conditions at a scale of tens of km. The HPC simulator enables us to investigate the subsurface thermal and hydrologic response to the built underground environment (such as basements and subways) at the community scale. In this study, a coupled hydrothermal simulator is developed based on the open-source finite element library deal.II. The HPC simulator was validated by comparing the results of a benchmark case study against COMSOL Multiphysics, in which Aquifer Thermal Energy Storage (ATES) is modeled and a process of heat injection into ATES is simulated. The use of an energy pile system at the Treasure Island redevelopment site (San Francisco, CA, USA) was selected as a case study to demonstrate the HPC capability of the developed simulator. The simulator is capable of modeling multiple city-scale geothermal scenarios in a reasonable amount of time.

Sun, Xiang↗
DOE OSTI2023

Mastering HPC Runtime Prediction: From Observing Patterns to a Methodological Approach: Preprint

The continual expansion of high-performance computing (HPC) brings with it an increasing need for efficiency. Heavy investment in energy, hardware, and software infrastructure to support peta- and exascale computing requires the optimization of existing systems and, wherever possible, the discernment and adoption of best-practices towards these goals. Such is the case for runtime prediction. When a job is submitted to an HPC system, an estimate of its runtime is provided by the user in the form of "requested wallclock''. Error in this user-provided estimate can lead to jobs being prematurely killed by the scheduler, increased wait time on the queue, and decreased system utilization. More than fifteen years of research has been directed at mitigating these effects by using data-driven runtime predictions. Codified here is a set of commonalities and insights emerging from this body of work, which we present as recommendations and best practices. These practices are combined into a methodological approach described and evaluated on an 11-million-job dataset from the National Renewable Energy Laboratory's petascale HPC system, Eagle. This dataset and the accompanying codebase have been released to the public domain for the benefit of the wider HPC research community.

high performance computing↗
DOE OSTI2024

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗
DOE OSTI2025

Predicting runtime and resource utilization of jobs on integrated cloud and HPC systems

Recent advances in virtualization technologies used in cloud computing offer performance that closely approaches bare-metal levels. Combined with specialized instance types and high-speed networking services for cluster computing, cloud platforms have become a compelling option for high-performance computing (HPC). However, most current batch job schedulers in HPC systems are designed for homogeneous clusters and make decisions based on limited information about jobs and system status. Scientists typically submit computational jobs to these schedulers with a requested runtime that is often over- or under-estimated. More accurate runtime predictions can help schedulers make better decisions and reduce job turnaround times. Here, they can also support decisions about migrating jobs to the cloud to avoid long queue wait times in HPC systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Towards Interactive, Reproducible Analytics at Scale on HPC Systems

The growth in scientific data volumes has resulted in a need to scale up processing and analysis pipelines using High Performance Computing (HPC) systems. These workflows need interactive, reproducible analytics at scale. The Jupyter platform provides core capabilities for interactivity but was not designed for HPC systems. In this paper, we outline our efforts that bring together core technologies based on the Jupyter Platform to create interactive, reproducible analytics at scale on HPC systems. Our work is grounded in a real world science use case-applying geophysical simulations and inversions for imaging the subsurface. Our core platform addresses three key areas of the scientific analysis workflow-reproducibility, scalability, and interactivity. We describe our implemention of a system, using Binder, Science Capsule, and Dask software. We demonstrate the use of this software to run our use case and interactively visualize real-Time streams of HDF5 data.

containers↗
DOE OSTI2020

The ESIF-HPC-2 Benchmark Suite

We describe the development of the ESIF-HPC-2 benchmark suite, a collection of kernel and application benchmark codes for measuring computational and I/O performance from single nodes to full HPC systems that was used for acceptance testing in our recent HPC procurement. The configurations of the benchmarks used for our system is presented. We also describe a set of "dimensions" that can be used to classify benchmarks and assess coverage of a suite systematically. The collection is offered cost-free as a GitHub repository for general usage and further development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Quantifying Uncertainty in HPC Job Queue Time Predictions

High Performance Computing (HPC) has developed at an unprecedented pace in recent decades. This growth has demanded corresponding development in the area of HPC Operational Data Analytics (ODA), which encompasses a wide range of data analysis techniques, ML/AI efforts, tools, and visualizations. Published studies in ODA offer a variety of practical ways to inform HPC users, administrators, procurement managers, and other stakeholders. Uncertainty analysis, however, is rare in the related published literature. For instance, we identify only 1 out of 14 existing studies focused on job queue time prediction that investigates the uncertainty aspect of their proposed predictions. We recognize the utmost importance uncertainty quantification can have in such predictive analytics solutions, with consequences in how users interpret information they receive, and attempt to bridge this gap. With the goal of improving access to such insights, we develop a process for determining upper and lower bounds of the predicted queue times of a regression model at a specified confidence level. Our current research is focused on the uncertainty in predicting job queue times, yet our approach may be employed in predicting other metrics.

HPC↗