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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

$\mathrm{SageNet}$: Fast Neural Network Emulation of the Stiff-amplified Gravitational Waves from Inflation

Accurate modeling of the inflationary gravitational waves (GWs) requires time-consuming, iterative numerical integrations of differential equations to take into account their backreaction on the expansion history. To improve computational efficiency while preserving accuracy, we present the Stiff-amplified Gravitational-wave Emulator Network (SageNet), a deep learning framework designed to replace conventional numerical solvers (code available at https://github.com/YifangLuo/SageNet). SageNet employs a long short-term memory architecture to emulate the present-day energy density spectrum of the inflationary GWs with possible stiff amplification, Ω GW (f). Trained on a data set of 25,689 numerically generated solutions, SageNet allows accurate reconstructions of Ω GW (f) and generalizes well to a wide range of cosmological parameters; 90.9% of the test emulations with randomly distributed parameters exhibit errors of under 4%. In addition, SageNet demonstrates its ability to learn and reproduce the artificial, adaptive sampling patterns in numerical calculations, which implement denser sampling of frequencies around changes in spectral indices in Ω GW (f). The dual capability of learning both physical and artificial features of the numerical GW spectra establishes SageNet as a robust alternative to exact numerical methods. Finally, our benchmark tests show that SageNet reduces the computation time from tens of seconds to milliseconds, achieving a speedup of ∼10 4 times over standard CPU-based numerical solvers with the potential for further acceleration on GPU hardware. These capabilities make SageNet a powerful tool for accelerating Bayesian inference procedures for extended cosmological models. In a broad sense, the SageNet framework offers a fast, accurate, and generalizable solution to modeling cosmological observables whose theoretical predictions demand costly differential equation solvers.

Astronomy data modeling↗
DOE OSTI2021

Design Considerations for GPU-based Mixed Integer Programming on Parallel Computing Platforms

Mixed Integer Programming (MIP) is a powerful abstraction in combinatorial optimization that finds real-life application across many significant sectors. The recent proliferation of graphical processing unit (GPU)-based accelerated computing architectures in large-scale parallel computing or supercomputing presents new opportunities as well as challenges in the advancement of MIP solver technology to effectively use the new accelerated computing platforms and scale to large parallel systems. Here, we recount the conventional processor-based strategies and focus on configurations where the most promising intersection lies between parallel MIP solver approaches and the specific strengths of accelerated parallel platforms. We note that the best potential lies in solving problems whose individual matrix sizes (of the linear program relaxation) fit entirely within one accelerator's memory and whose branch-and-bound (or branch-and-cut) trees cannot be fully contained within a small number of computational nodes. Additionally, we identify ideal features of computational linear algebra support on GPU accelerators that would help advance this direction of scalable parallel solution of MIP problems on GPU-based accelerated computing architectures.

Perumalla, Kalyan↗
DOE OSTI2021

Revealing power, energy and thermal dynamics of a 200PF pre-exascale supercomputer

As we approach the exascale computing era, the focused understanding of power consumption and its overall constraint on HPC architectures and applications are becoming increasingly paramount. Summit, located at the Oak Ridge Leadership Computing Facility (OLCF), is one of the fastest and largest pre-exascale platforms in operation today. This paper provides a first-order examination and analysis of power consumption at the component-level, node-level, and system-level, from all 4,626 Summit compute nodes, each with over 100 metrics at 1Hz frequency over the entire year of 2020. We also investigate the power characteristics and energy efficiency of over 840k Summit jobs and 250k GPU failure logs for further operational insights. To the best of our knowledge, this is the first systematic analysis of power data of HPC system at this scale.

Shin, Woong↗
DOE OSTI2026

Cooling Matters: Benchmarking Large Language Models and Vision-Language Models on Liquid-Cooled Versus Air-Cooled H100 GPU Systems

The unprecedented growth in artificial intelligence (AI) workloads, recently dominated by large language models (LLMs) and vision-language models (VLMs), has intensified power and cooling demands in data centers. This study benchmarks LLMs and VLMs on two HGX nodes, each with 8× NVIDIA H100 graphics processing units (GPUs), using liquid and air cooling. Leveraging GPU Burn, Weights & Biases, and IPMItool, we collect detailed thermal, power, and computation data. Results show that the liquid-cooled systems maintain GPU temperatures between 41-50$^\circ$C, while the air-cooled counterparts fluctuate between 54-72$^\circ$C under load. This thermal stability of liquid-cooled systems yields 17% higher performance (54 TFLOPs/ GPU vs. 46 TFLOPs/GPU), performance-per-watt, reduced energy overhead, and greater system efficiency than the air-cooled counterparts. These findings underscore the energy and sustainability benefits of liquid cooling, offering a compelling path forward for hyperscale data centers seeking to optimize AI infrastructure. https://github.com/iscaas/Cooling-Matters.

Latif, Imran↗
DOE OSTI2022

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

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]↗
DOE OSTI2023

CSPlib: A performance portable parallel software toolkit for analyzing complex kinetic mechanisms

Computational singular perturbation (CSP) is a method to analyze dynamical systems. It targets the decoupling of fast and slow dynamics using an alternate linear expansion of the right-hand side of the governing equations based on eigenanalysis of the associated Jacobian matrix. This representation facilitates diagnostic analysis, detection and control of stiffness, and the development of simplified models. For this work, we have implemented CSP in a C++ open-source library CSPlib using the Kokkos parallel programming model to address portability across diverse heterogeneous computing platforms, i.e., multi/many-core CPUs and GPUs. We describe the CSPlib implementation and present its computational performance across different computing platforms using several test problems. Specifically, we test the CSPlib performance for a constant pressure ignition reactor model on different architectures, including IBM Power 9, Intel Xeon Skylake, and NVIDIA V100 GPU. The size of the chemical kinetic mechanism is varied in these tests. As expected, the Jacobian matrix evaluation, the eigensolution of the Jacobian matrix, and matrix inversion are the most expensive computational tasks. When considering the higher throughput characteristic of GPUs, GPUs performs better for small matrices with higher occupancy rate. CPUs gain more advantages from the higher performance of well-tuned and optimized linear algebra libraries such as OpenBLAS.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Multiphysics analysis system for heat pipe cooled micro-reactors employing PRAGMA-OpenFOAM-ANLHTP

A multiphysics analysis system for neutronics/thermo-mechanical/heat-pipe analysis of heat pipe cooled micro-reactors was developed using the PRAGMA code as the neutronics engine. PRAGMA, which used to be a GPU-based continuous-energy MC code for power reactor applications, now has an extended geometry package to handle geometries with unstructured meshes generated by the ANSYS Design-Modeler and Meshing. The NVIDIA ray tracing engine OptiX was exploited for efficient neutron transport on unstructured geometry. On the multiphysics side, the open-source CFD tool OpenFOAM and one-dimensional heat pipe analysis code ANLHTP were adopted. The manager-worker system based on the MPI dynamic process management (DPM) model enables efficient coupling of codes employing different parallelization schemes. With all the features, the multiphysics analysis of the one-sixth symmetrical MegaPower 2D core was performed and it demonstrated the benefit of the tight integration of the three-way coupling system and one-to-one geometry coupling strategy. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Designing and prototyping extensions to the Message Passing Interface in MPICH

As HPC system architectures and the applications running on them continue to evolve, the MPI standard itself must evolve. The trend in current and future HPC systems toward powerful nodes with multiple CPU cores and multiple GPU accelerators makes efficient support for hybrid programming critical for applications to achieve high performance. However, the support for hybrid programming in the MPI standard has not kept up with recent trends. The MPICH implementation of MPI provides a platform for implementing and experimenting with new proposals and extensions to fill this gap and to gain valuable experience and feedback before the MPI Forum can consider them for standardization. Here, in this work, we detail six extensions implemented in MPICH to increase MPI interoperability with other runtimes, with a specific focus on heterogeneous architectures. First, the extension to MPI generalized requests lets applications integrate asynchronous tasks into MPI’s progress engine. Second, the iovec extension to datatypes lets applications use MPI datatypes as a general-purpose data layout API beyond just MPI communications. Third, a new MPI object, MPIX_Stream, can be used by applications to identify execution contexts beyond MPI processes, including threads and GPU streams. MPIX stream communicators can be created to make existing MPI functions thread-aware and GPU-aware, thus providing applications with explicit ways to achieve higher performance. Fourth, MPIX Streams are extended to support the enqueue semantics for offloading MPI communications onto a GPU stream context. Fifth, thread communicators allow MPI communicators to be constructed with individual threads, thus providing a new level of interoperability between MPI and on-node runtimes such as OpenMP. Lastly, we present an extension to invoke MPI progress, which lets users spawn progress threads with fine-grained control to adapt the communication performance to their application designs. We describe the design and implementation of these extensions, provide usage examples, and highlight their expected benefits with performance results.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2022

Radiation Tolerance and Mitigation for Neuromorphic Processors

Neuromorphic processors are designed to execute Deep Neural Networks (DNNs) at very high speed using only a fraction of the electrical power needed to run a DNN on a traditional CPU or GPU. This unique capability makes Neuromorphic processors a prime candidate for space systems, where advanced computational tasks like image analysis, depth map reconstruction, or rover control need to be executed in a power-starved environment. In contrast to the growing number of applications of Neuromorphic processors in smart phones, the automotive and robotics domain, the space environment is unforgiving because of extreme temperatures and high levels of radiation. Any space system, operating beyond LEO requires computing hardware that is resilient against radiation effects. However, Neuromorphic processors have not yet been designed or tested for their radiation tolerance. In this report, we consider traditional methods of detection of radiation events and mitigation via redundancy and gauge their effectiveness on DNNs. In contrast to traditional flight software, however, neural networks represent a statistical algorithm, which might affect its resilience against radiation events. We will focus on the analysis of the tolerance of DNNs with respect to radiation events and discuss techniques to detect radiation hits using on-chip triple modular redundancy (TMR) on an Intel Loihi neuromorphic processor and to mitigate radiation damage. We describe an architecture for on-chip TMR for the Intel Loihi and present results of initial experiments.

Neural Networks↗
NASA NTRS2020

Deep Learning Models for Planetary Seismicity Detection

Research in planetary seismology is fundamentally constrained by a lack of data. Seismo-logical science products of future missions can typically only be informed by theoretical signal/noise characteristics of the environment or likely Earth-analogues. Although objectives can be re-assessed after some initial data-collection upon lander arrival, transfer of high-resolution data back to Earth is costly on lander power usage. Over the last several years, development of GPU computing techniques and open-source high-level APIs have led to rapid advances in deep learning within the fields of computer vision, natural language processing, and collaborative filtering. These techniques are actively being adapted in seismology for a variety of tasks, including: earthquake detection, seismic phase discrimination, and ground-motion prediction. Until the recent detection of mars quakes during the Mars InSight mission, the only other measurements of seismicity recorded outside of Earth was on the Moon during the Apollo missions between 1969 to 1977. These unique data sets have been periodically revisited using new seismological methods, including ambient noise interferometry and Hidden Markov Models. Our objective is to develop a deep learning seismic detector and use it to catalog moonquakes from the Apollo 17 Lunar Seismic Profiling Experiment (LSPE) and compare the results with those obtained by other methods. Additionally, we will assess the accuracy tradeoff between using a training set of lunar data and one composed of Earth seismicity. In this document, we present preliminary results using a prototype classifier trained on a small set of earthquakes that was able to obtain detections for LSPE moonquakes with a greater accuracy than a recent study using Hidden Markov Models.

Civilini, F.↗
DOE OSTI2020

Analyzing Deep Learning Model Inferences for Image Classification using OpenVINO

It may be desirable to execute deep learning model inferences on an integrated GPU at the edge. While such GPUs are much less powerful than discrete GPUs, it is able to deliver higher floating-point operations per second than a CPU located on the same die. For edge devices, the benefit of moving to lower precision with minimal loss of accuracy to obtain higher performance is also attractive. Hence, we chose 14 deep learning models for image classification to evaluate their inference performance with the OpenVINO toolkit. Then, we analyzed the implementation of the fastest inference model of all the models. The experimental results are promising. Compared to the performance of full-precision (FP32) models, the speedup of the 8-bit (INT8) quantization ranges from 1.02 to 1.56 on an Intel (R) Xeon (R) 4-core CPU, and the speedup of the FP16 models ranges from 1.1 to 2 on an Intel (R) Iris (TM) Pro GPU. For the FP32 models, the GPU is on average 1.5X faster than the CPU.

CPU↗
NASA NTRSDate not supplied

Computational Investigation of Retropropulsion Operating Environments with a GPU-Enabled Detached Eddy Simulation Approach

Human exploration of the surface of Mars will require an extended powered descent phase of flight, during which aerodynamic-propulsive interference effects can be significant. Characterization of these environments to enable implementation of this technology into a flight vehicle will rely heavily on computational simulation. This work advances the understanding of retropropulsion aerodynamics through application of a massively parallel detached eddy simulation approach on a GPU-accelerated computational framework, yielding data that are largely unachievable with conventional high-performance computing resources. This work includes time-dependent and time-averaged forces and moments on a conceptual, full-scale vehicle in environments and operating conditions relevant to human Mars exploration. Conditions are examined where the engine exhaust flow transitions between over-expanded and under-expanded flow structures, and flight operation will require the ability to maintain control of the vehicle during such a transition. These transitions occur as the vehicle decelerates, and as such, this investigation includes supersonic, transonic, and subsonic flight conditions. Options for vehicle control during powered flight include differential throttling of the engines. This paper provides an overview of the computational campaign, approach, and discussion of results in characterizing the resulting aerodynamics for differential throttling with retropropulsion in atmospheric environments.

EDL↗
DOE OSTI2020

Detecting Anomalous Computation with RNNs on GPU-Accelerated HPC Machines

This paper presents a workload classification framework that discriminates illicit computation from authorized workloads on GPU-accelerated HPC systems. As such systems become more and more powerful, they are exploited by attackers to run malicious and for-profit programs that typically require extremely high computing ability to be successful. Our classification framework leverages the distinctive signatures between illicit and authorized workloads, and explore machine learning methods to learn the workloads and classify them. The framework uses lightweight, non-intrusive workload profiling to collect model input data, and explores multiple machine learning methods, particularly recurrent neural network (RNN) that is suitable for online anomalous workload detection. Evaluation results on three generations of GPU machines demonstrate that the workload classification framework can tell apart the illicit authorized workloads with a high accuracy of over 95%.

Pengfei, Zou↗
NASA NTRS2019

UAVSAR real-time embedded GPU processor

Synthetic aperture radar (SAR) can provide high-resolution imagery regardless of cloud cover or lighting conditions. These qualities make SAR potentially well-suited for informing response efforts to natural and man-made disasters, but such applications require data products with minimal latency. To meet this challenge, we implemented a real-time SAR processor capable of producing 10 m imagery using an NVIDIA Jetson TX2 embedded GPU module. With its low mass (87 g module) and power consumption under 8 W, the system also holds promise for spaceborne applications.

Tung, Wayne↗
DOE OSTI2022

GPU Acceleration of Large-Scale Full-Frequency GW Calculations

Many-body perturbation theory is a powerful method to simulate electronic excitations in molecules and materials starting from the output of density functional theory calculations. By implementing the theory efficiently so as to run at scale on the latest leadership high-performance computing systems it is possible to extend the scope of GW calculations. Here, we present a GPU acceleration study of the full-frequency GW method as implemented in the WEST code. Excellent performance is achieved through the use of (i) optimized GPU libraries, e.g., cuFFT and cuBLAS, (ii) a hierarchical parallelization strategy that minimizes CPU-CPU, CPU-GPU, and GPU-GPU data transfer operations, (iii) nonblocking MPI communications that overlap with GPU computations, and (iv) mixed precision in selected portions of the code. A series of performance benchmarks has been carried out on leadership high-performance computing systems, showing a substantial speedup of the GPU-accelerated version of WEST with respect to its CPU version. Good strong and weak scaling is demonstrated using up to 25 920 GPUs. Finally, we showcase the capability of the GPU version of WEST for large-scale, full-frequency GW calculations of realistic systems, e.g., a nanostructure, an interface, and a defect, comprising up to 10 368 valence electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Advanced Computing Annual Report 2024

In fiscal year (FY) 2024, the National Renewable Energy Laboratory (NREL) took a major leap forward with the completed full buildout of Kestrel, the Office of Energy Efficiency and Renewable Energy's newest high-performance computing (HPC) system. Kestrel is already supporting science across the portfolio, bringing roughly 44 petaflops of computing power, which is more than five times the capacity of our previous supercomputer, Eagle. By delivering greater GPU capacity, Kestrel enables faster progress in artificial intelligence (AI) and opens new avenues in energy research - from defining long-term planning scenarios to accommodate a growing power system to material discovery to improving energy efficiency in photovoltaics (PV). Across the portfolio, research is being accelerated by Kestrel's impressive power. During FY24, 427 projects and more than 700 researchers used NREL's HPC, supporting the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy across 13 funding areas. Through these collaborations, researchers produced more than 450 technical outputs, including 195 articles in peer-reviewed publications, pushing the boundaries of science and engineering. This year's report features new sections spotlighting the expanding roles of Artificial Intelligence and Accelerated Computing. We also introduce an early career section to celebrate the accomplishments of our up-and-coming researchers, whose pioneering work is shaping the future of energy. We hope you enjoy the new insights and discoveries highlighted in these pages.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

OLCF Summit Supercomputer GPU Snapshots During Double-Bit Errors and Normal Operations

As we move into the exascale era, the power and energy footprints of high-performance computing (HPC) systems have grown significantly larger. Due to the harsh power and thermal conditions the system, components are exposed to extreme operating conditions. Operation of such modern HPC systems requires deep insights into long term system behavior to maintain its efficiency as well as its longevity. To help the HPC community to gain such insights, we provide double-bit errors using system telemetry data and logs collected from the Summit supercomputer, equipped with 27,648 Tesla V100 GPUs with 2nd-generation high-bandwidth memory (HBM2). The dataset relies on Nvidia XID records internally collected by GPU firmware at the time of failure occurrence, on the reboot-time logs of each Summit node, on node-level job scheduler records collected after each job termination, and on a 1Hz data rate from the baseboard management controllers (BMCs) of each Summit compute node using the OpenBMC event subscription protocol. Technical details can be found in the paper Oles et. al “Understanding GPU Memory Corruption at Extreme Scale: The Summit Case Study” ICS’24 (https://doi.org/10.1145/3650200.3656615).

97 MATHEMATICS AND COMPUTING↗