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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
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 OSTI2020

BBOS: Efficient HPC Storage Management via Burst Buffer Over-Subscription

To avoid access to PFS, dedicated BB allocation is preferred despite of severe BB underutilization. Recently, new all-flash HPC storage systems with integrated BB and PFS are proposed, which speed up access to PFS. For this reason, we adopt BB over-subscription allocation method by allowing HPC applications to use BB only for I/O phase for improving BB utilization. Unfortunately, BB over-subscription aggravates I/O interference and demotion overhead from BB to PFS, resulting in degraded performance. To minimize the performance degradation, we develop an I/O scheduler to prevent I/O congestion and a new transparent data management system based on checkpoint/restart characteristics of HPC applications. With the proposed approach, not only the BB utilization can be improved, but also high performance of applications is achieved. In our experiments, we find that BB utilization is improved at least 2.2x, and more stable and higher checkpoint performance is guaranteed compared to other approaches. Besides, we achieve up to 96.4% hit ratio of restart requests on BB and up to 3.1x higher restart performance than others.

Sung, H↗
DOE OSTI2024

AI/ML Expo Boosting Job Performance with AI: Innovative Approaches and Success Stories

Our technology leverages artificial intelligence (AI) to enhance the user experience in High Performance Computing (HPC) environments. By analyzing user behavior and providing personalized recommendations, our AI system helps HPC users optimize their workflows and improve productivity. Additionally, we offer an advanced image similarity search feature, which utilizes AI algorithms to identify and retrieve visually similar images, saving users valuable time and effort in their research and analysis.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2020

BEE - FY20 P6-2: Support for HPC resource managers 2.3.6.01 – LANL ATDM ST / STNS01-6 P6 Milestone Completion Documentation

BEE uses abstract interfaces between core functionality and specific driver code. An example of this is the worker_interface. The worker_interface is used by the BEETaskManager to communicate with the HPC system-specific resource manager (e.g. Slurm) and container runtime (e.g. Charliecloud). BEE initially only supported the Slurm HPC resource manager. This activity will make HPC resource manager support a configurable option. When this activity is complete BEE will support both the Slurm and LSF resource managers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Towards Sustainable Post-Exascale Leadership Computing

As computing systems approach the limits of traditional silicon technology, the diminishing returns in performance per watt present a significant barrier to sustaining growth in HPC. From a large-scale scientific supercomputing facility point of view, we propose a multifaceted strategy toward specialized hardware and architectures that are optimized for energy efficiency in specific applications. We also emphasize the need for integrating energy-aware practices across all levels of HPC, from system design and software development to operational policies. We discuss strategic opportunities such as the adoption of application-specific accelerators, the development of energy-efficient algorithms, and the implementation of data-driven operational analytics. Our goal is to develop a comprehensive roadmap ensuring that future leadership systems at OLCF can meet scientific demands while operating within stringent energy budgets, thereby supporting sustainable computing growth.

Shin, Woong↗
DOE OSTI2025

xGFabric: Coupling Sensor Networks and HPC Facilities with Private 5G Wireless Networks for Real-Time Digital Agriculture

Advanced scientific applications require coupling distributed sensor networks with centralized high-performance computing facilities. Citrus Under Protective Screening (CUPS) exemplifies this need in digital agriculture, where citrus research facilities are instrumented with numerous sensors monitoring environmental conditions and detecting protective screening damage. CUPS demands access to computational fluid dynamics codes for modeling environmental conditions and guiding real-time interventions like water application or robotic repairs. These computing domains have contrasting properties: sensor networks provide low-performance, limited-capacity, unreliable data access, while high-performance facilities offer enormous computing power through high-latency batch processing. Private 5G networks present novel capabilities addressing this challenge by providing low latency, high throughput, and reliability necessary for near-real-time coupling of edge sensor networks with HPC simulations. This work presents xGFabric, an end-to-end system coupling sensor networks with HPC facilities through Private 5G networks. The prototype connects remote sensors via 5G network slicing to HPC systems, enabling real-time digital agriculture simulation.

Digital Agriculture↗
DOE OSTI2022

HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer

Molecular simulation is an important tool for nu- merous efforts in physics, chemistry, and the biological sciences. Simulating molecular dynamics requires extremely rapid cal- culations to enable sufficient sampling of simulated temporal molecular processes. The Hewlett Packard Enterprise (HPE) Cray EX Frontier supercomputer installed at the Oak Ridge Leadership Computing Facility (OLCF) will provide an exascale resource for open science, and will feature graphics processing units (GPUs) from Advanced Micro Devices (AMD). The future LUMI supercomputer in Finland will be based on an HPE Cray EX platform as well. Here we test the ports of several widely used molecular dynamics packages that have each made substantial use of acceleration with NVIDIA GPUs, on Spock, the early Cray pre-Frontier testbed system at the OLCF which employs AMD GPUs. These programs are used extensively in industry for pharmaceutical and materials research, as well as academia, and are also frequently deployed on high-performance computing (HPC) systems, including national leadership HPC resources. We find that in general, performance is competitive and installation is straightforward, even at these early stages in a new GPU ecosystem. Our experiences point to an expanding arena for GPU vendors in HPC for molecular simulation.

Sedova, Ada↗
DOE OSTI2023

Usage Pattern Analysis for the Summit Login Nodes

High performance computing (HPC) users interact with Summit through dedicated gateways, also known as login nodes. The performance and stability of these login nodes can have a significant impact on the user experience. In this study, the performance and stability of Summit’s five login nodes are evaluated by analyzing the log data from 2020 and 2021. The analysis focuses on the computing capability (CPU average load, users and tasks) and the storage performance, along with the associated job scheduler activity. The outcome of this study can serve as the foundation of a predictive modeling framework that enables the system admin of an HPC system to preemptively deploy countermeasures before the onset of a system failure.

Eiffert, Brett↗
DOE OSTI2021

Benchmarking the Performance of Neuromorphic and Spiking Neural Network Simulators

Software simulators play a critical role in the development of new algorithms and system architectures in any field of engineering. Neuromorphic computing, which has shown potential in building brain-inspired energy-efficient hardware, suffers a slow-down in the development cycle due to a lack of flexible and easy-to-use simulators of either neuromorphic hardware itself or of spiking neural networks (SNNs), the type of neural network computation executed on most neuromorphic systems. While there are several openly available neuromorphic or SNN simulation packages developed by a variety of research groups, they have mostly targeted computational neuroscience simulations, and only a few have targeted small-scale machine learning tasks with SNNs. Evaluations or comparisons of these simulators have often targeted computational neuroscience-style workloads. In this work, we seek to evaluate the performance of several publicly available SNN simulators with respect to non-computational neuroscience workloads, in terms of speed, flexibility, and scalability. We evaluate the performance of the NEST, Brian2, Brian2GeNN, BindsNET and Nengo packages under a common front-end neuromorphic framework. Our evaluation tasks include a variety of different network architectures and workload types to mimic the computation common in different algorithms, including feed-forward network inference, genetic algorithms, and reservoir computing. We also study the scalability of each of these simulators when running on different computing hardware, from single core CPU workstations to multi-node supercomputers. Our results show that the BindsNET simulator has the best speed and scalability for most of the SNN workloads (sparse, dense, and layered SNN architectures) on a single core CPU. However, when comparing the simulators leveraging the GPU capabilities, Brian2GeNN outperforms the others for these workloads in terms of scalability. NEST performs the best for small sparse networks and is also the most flexible simulator in terms of reconfiguration capability NEST shows a speedup of at least 2x compared to the other packages when running evolutionary algorithms for SNNs. The multi-node and multi-thread capabilities of NEST show at least 2x speedup compared to the rest of the simulators (single core CPU or GPU based simulators) for large and sparse networks. We conclude our work by providing a set of recommendations on the suitability of employing these simulators for different tasks and scales of operations. We also present the characteristics for a future generic ideal SNN simulator for different neuromorphic computing workloads.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

ytopt: Autotuning Scientific Applications for Energy Efficiency at Large Scales

As we enter the exascale computing era, efficiently utilizing power and optimizing the performance of scientific applications under power and energy constraints has become critical and challenging. We propose a low-overhead autotuning framework to autotune performance and energy for various hybrid MPI/OpenMP scientific applications at large scales and to explore the tradeoffs between application runtime and power/energy for energy efficient application execution, then use this framework to autotune four ECP proxy applications—XSBench, AMG, SWFFT, and SW4lite. Our approach uses Bayesian optimization with a Random Forest surrogate model to effectively search parameter spaces with up to 6 million different configurations on two large-scale HPC production systems, Theta at Argonne National Laboratory and Summit at Oak Ridge National Laboratory. The experimental results show that our autotuning framework at large scales has low overhead and achieves good scalability. Using the proposed autotuning framework to identify the best configurations, we achieve up to 91.59% performance improvement, up to 21.2% energy savings, and up to 37.84% EDP (energy delay product) improvement on up to 4096 nodes.

Autotuning↗
DOE OSTI2020

mpi-sppy: Optimization Under Uncertainty for Pyomo

We introduce a new Pyomo extension for optimization under uncertainty, mpi-sppy. This extension allows for the mixing of, and sharing of information between, various algorithmic approaches for optimization under uncertainty. We will discuss the underlying architecture and assess the performance and scalability of mpi-sppy on various systems, including HPC clusters.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2020

High-Performance Computing for Earth System Modeling

High-performance computing (HPC) plays an important role during the development of Earth system models. This chapter reviews HPC efforts related to Earth system models, including community Earth system models and energy exascale Earth system models. Specifically, this chapter evaluates computational and software design issues, analyzes several current HPC-related model developments, and provides an outlook for some promising areas within Earth system modeling in the era of exascale computing.

Wang, Dali↗
DOE OSTI2022

Machine Learning Assisted HPC Workload Trace Generation for Leadership Scale Storage Systems

Monitoring and analyzing a wide range of I/O activities in an HPC cluster is important in maintaining mission-critical performance in a large-scale, multi-user, parallel storage system. Center-wide I/O traces can provide high-level information and fine-grained activities per application or per user running in the system. Studying such large-scale traces can provide helpful insights into the system. It can be used to develop predictive methods for making predictive decisions, adjusting scheduling policies, or providing decisions for the design of next-generation systems. However, sharing real-world I/O traces to expedite such research efforts leaves a few concerns; i) the cost of sharing the large traces is expensive due to this large size, and ii) privacy concern is an issue.We address such issues by building an end-to-end machine learn- ing (ML) workflow that can generate I/O traces for large-scale HPC applications. We leverage ML based feature selection and gener- ative models for I/O trace generation. The generative models are trained on I/O traces collected by the darshan I/O characterization tool over a period of one year. We present a two-step generation process consisting of two deep-learning models, called the feature generator and the trace generator. The combination of two-step generative models provides robustness by reducing the bias of the model and accounting for the stochastic nature of the I/O traces across different runs of an application. We evaluate the performance of the generative models and show that the two-step model can generate time-series I/O traces with less than 20% root mean square error.

Paul, Arnab↗
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↗