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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

An automated and portable method for selecting an optimal GPU frequency

Power consumption poses a significant challenge in current and emerging graphics processing unit (GPU) enabled high-performance computing systems. In modern GPUs, dynamic voltage frequency scaling (DVFS) appears to be a reliable control to regulate power consumption and performance. However, the DVFS design space is large - hence, brute-force approaches are infeasible to select the optimal frequency. Furthermore, no single frequency can be universally optimal for applications with varying computational intensities. Thus, the application's complexity and the availability of a wide range of frequency settings are a challenge in selecting the optimal frequency configuration for a given GPU workload. To that end, this paper proposes a systematic approach that consists of three steps. The feature characterization study identifies the fine-grain GPU utilization metrics that influence the power consumption and execution time of a given workload. To understand the performance, power, and energy consumption behaviors of a workload across GPU's DVFS design space, we derived analytical power and performance models using the identified fine-grain features. Here, it is shown that the same set of GPU utilization metrics can estimate both the power consumption and execution time while being agnostic of changes to frequency and input sizes. Applying a power control with the single objective of reducing power may cause performance degradation, leading to more energy consumption. A multi-objective approach is proposed to select the optimal GPU DVFS configuration for a workload that reduces power consumption with negligible degradation in performance. The evaluation was conducted using SPEC ACCEL benchmarks and three real applications - NAMD LAMMPS, and LSTM on NVIDIA GV100, GA100, and AMD MI210 GPUs. On average, real applications showed 29.6% energy savings with a performance loss of 5.2% on GA100 and 22.6% energy savings with a performance loss of 4.7% on GV100. Moreover, the proposed models are portable to real applications, GPU architectures, and vendors, and require metric collection at only the default frequency rather than all supported DVFS configurations. Additionally, we conducted a comparison between our models and the GPU assembly instructions (PTX)-based static models. The results revealed a significant reduction in the average error rates, with a decrease from 19.7% to 3.1% for power models and from 29.4% to 5.2% for performance models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Improved field-portable system to measure Cs-137 in wildlife

Here, we have developed an improved system to measure Cs-137 in wildlife at the Savannah River Site. This field-portable system consists of a shielded 5 cm by 10 cm by 40 cm NaI detector controlled by an Ametek Ortec Digibase. Measurement of an animal’s radioactivity is made by placing the animal at a predefined location on the detector system for a one minute count-time. The counts, animal type, and animal weight are then used as inputs to an algorithm which calculates the amount of Cs-137 within the whole animal and within the edible meat portion of the animal. The results from these calculations are used to estimate the received dose from eating this animal and is included in the Savannah River Site’s Hunter Dose Tracking System. This system has a detection limit of 0.60 pCi/g (22.20 Bq/kg) with a typical measurement uncertainty of less than 0.32 pCi/g (11.84 Bq/kg).

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2021

Towards performance portability in the Spark astrophysical magnetohydrodynamics solver in the Flash-X simulation framework

Simulations of core-collapse supernovae, and other astrophysical phenomena, are quintessential extreme-scale computing challenges. For core-collapse supernova simulations to be carried out by the ExaStar project under the Exascale Computing Project umbrella, a robust, efficient, and state-of-the-art magnetohydrodynamics solver is a critical requirement. In Flash-X, the primary software instrument for ExaStar, a new magnetohydrodynamics solver has been designed and implemented from the ground up to achieve accuracy and efficiency for simulations of complex astrophysical flows. This new solver, dubbed Spark, uses high-order spatial reconstruction, Runge-Kutta time integration, and an efficient cell-centered approach to satisfying the divergence-free condition for the magnetic fields. Spark was written to be optimized for data locality in cache hierarchy of CPUs. Since data locality optimizations for cache hierarchy are not directly compatible with those of accelerators, we have taken the approach of using program synthesis to avoid massive amounts of code replication that would be necessary if we were to maintain two different versions of the solver. Our program synthesis relies on a simple key-dictionary approach, implemented in python, that enables us to assemble the version of the solver suitable for the target hardware from code fragments identified by specific keys. In this work, we describe the data locality optimizations of the solver for CPUs and accelerators and the program synthesis tools that enable this portability. We also detail the parallel performance of Spark for both CPUs and accelerators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Programming approaches for scalability, performance, and portability of combustion physics codes

Here, this paper presents the process, strategy, and results associated with porting a typical combustion physics flow solver to current state-of-the-art and future massively-parallel computer architectures. Major focus is placed on the distinct algorithmic structure of these types of codes and how it can be integrated with modern programming paradigms for heterogeneous platforms (i.e., distributed many-core systems with accelerators). An end-to-end case study is presented that exemplifies the process in a generic manner, which then serves as a clear guide with respect to the strategy and best practices leading to a robust and adaptable framework that performs well, is durable over time, is portable, and requires minimal human-effort. This end is accomplished beginning with the use of a mature, validated, structured, multiblock code framework optimized for application of both Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS). This code has been ported to a variety of platforms over the past decade, including most recently the Oak Ridge Leadership Computing Facility’s “Summit” Platform. The experience gained on these multiple platforms provides general insights and thus the results presented are not specific to any one code or platform other than the overarching trend toward distributed many-core systems with accelerators in order to move toward exascale performance. The resultant performance and scalability of the ported code is demonstrated on a real-world application; a state-of-the-art rotating detonation rocket engine simulation that matches the complex geometry and boundary conditions imposed as part of a companion experimental campaign.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Porting ATLAS Fast Calorimeter Simulation to GPUs with Performance Portable Programming Models

FastCaloSim is a parameterized simulation of the particle energy response and of the energy distribution in the ATLAS calorimeter. It is a relatively small and self-contained package with massive inherent parallelism and captures the essence of GPU offloading via important operations like data transfer, memory initialization, floating point operations, and reduction. It was identified by the High Energy Physics Center for Computational Excellence project as a good testbed for evaluating the performance and ease of portability of programming models. In this paper, we will discuss the results of our evaluation of the porting process to Kokkos, SYCL, Alpaka, OpenMP and std::par (nvc++), and compare performance on NVIDIA, AMD and Intel GPUs, as well as multicore CPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Packaging HEP Heterogeneous Mini-apps for Portable Benchmarking and Facility Evaluation on Modern HPCs

High Energy Physics (HEP) experiments are making increasing use of GPUs and GPU dominated High Performance Computer facilities. Both the software and hardware of these systems are rapidly evolving, creating challenges for experiments to make informed decisions as to where they wish to devote resources. In its first phase, the High Energy Physics Center for Computational Excellence (HEP-CCE) produced portable versions of a number of heterogeneous HEP mini-apps, such as p2r, FastCaloSim, Patatrack and the WireCell Toolkit, that exercise a broad range of GPU characteristics, enabling cross platform and facility benchmarking and evaluation. However, these miniapps still require a significant amount of manual intervention to deploy on a new facility. We present our work in developing turn-key deployments of these mini-apps, where by means of containerization and automated configuration and build techniques such as Spack, we are able to quickly test new hardware, software, environments and entire facilities with minimal user intervention, and then track performance metrics over time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Hydra: An AI-Based Framework for Interpretable and Portable Data Quality Monitoring

Hydra is an advanced framework designed for training and managing AI models for near real time data quality monitoring at Jefferson Lab. Deployed in all four experimental halls, Hydra has analyzed over 2 million images and has extended its capabilities to offline monitoring and validation. Hydra utilizes computer vision to continually analyze sets of images of monitoring plots generated 24/7 during experiments. Generally, these sets of images are produced at a rate and quantity that is exceedingly difficult for shift crews to effectively monitor. Significant effort has been devoted to enhancing Hydra’s user interface, to ensure that it provides clear, actionable insights for shift workers and other users. Gradient Weighted Class Activation Maps (GradCAM) provide added interpretability, allowing users to visualize important regions of the image for classification. Hydra has been containerized to enable the creation of portable demos and seamless integration with container-based technologies such as Kubernetes and Docker. With the user interface enhancements and containerization, Hydra can be rapidly deployed for new use cases and experiments. This talk will describe the Hydra framework, its user interface and experience, and the challenges inherent in its design and deployment.

Britton, Thomas [Thomas Jefferson National Acceler↗
DOE OSTI2021

A portable X-pinch design for x-ray diagnostics of warm dense matter

We describe the design and x-ray emission properties (temporal, spatial, and spectral) of Dry Pinch I, a portable X-pinch driver developed at Imperial College London. Dry Pinch I is a direct capacitor discharge device, 300 × 300 × 700 mm3 in size and ∼50 kg in mass, that can be used as an external driver for x-ray diagnostics in high-energy-density physics experiments. Among key findings, the device is shown to reliably produce 1.1 ± 0.3 ns long x-ray bursts that couple ∼50 mJ of energy into photon energies from 1 to 10 keV. The average shot-to-shot jitter of these bursts is found to be 10 ± 4.6 ns using a combination of x-ray and current diagnostics. The spatial extent of the x-ray hot spot from which the radiation emanates agrees with previously published results for X-pinches—suggesting a spot size of 10 ± 6 µm in the soft energy region (1–10 keV) and 190 ± 100 µm in the hard energy region (>10 keV). These characteristics mean that Dry Pinch I is ideally suited for use as a probe in experiments driven in the laboratory or at external facilities when more conventional sources of probing radiation are not available. At the same time, this is also the first detailed investigation of an X-pinch operating reliably at current rise rates of less than 1 kA/ns.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Compact, portable, automatic sample changer stick for cryostats and closed-cycle refrigerators

Beamlines are facilities that produce and deliver highly focused and intense beams of radiation, typically x rays, synchrotron radiation, or neutrons, for scientific research purposes. Millions of dollars are spent annually to maintain and operate these scientific beamlines, oftentimes running continuously between cycles. To reduce human intervention and improve productivity, mechanical sample changers are often commissioned for use. Designing sample changers is difficult because mechanical parts can be bulky, expensive, and challenging to design for instruments with low volume access, high radiation, and cryogenic environments. We present a portable and inexpensive sample changer stick that can hold and manipulate up to four samples, specifically designed for use with cryogenic closed-cycle refrigerators. The sample changer stick enables rapid and efficient exchange of samples without manual intervention, and is compatible with standard sample mounts such as vanadium cans. The sample changer stick includes a motorized rotation and lancing mechanism, which enables the precise positioning of each sample in the neutron beam, while ensuring compatibility with the operating temperatures and vacuum conditions required for closed-cycle refrigerators. The design has been successfully tested at the VISION beamline at the Spallation Neutron Source. The mechanical action and software controls are detailed. Furthermore, the sample changer stick is a valuable tool for scientists working with cryogenic closed-cycle refrigerators.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A compact and portable gamma-ray spectrometer (GRASP) for inertial confinement fusion and basic science experiments

A compact and portable gamma-ray spectrometer has been designed to diagnose different components of the inertial confinement fusion-relevant γ-ray spectrum with energies between ∼3.7–17.9 MeV. The system is designed to be as compact as possible for convenient transportation and fielding in diagnostic ports on the OMEGA laser, the National Ignition Facility, and other photon-source facilities. The system consists of a conversion foil for Compton scattering in front of four magnetic spectrometer “arms,” each covering a different energy range and constructed out of cylindrical permanent magnet Halbach arrays. Monte Carlo simulations have been used to optimize and assess the performance of the conversion foil, and COSY INFINITY ion-optical simulations have been used to optimize the spectrometer magnets. The performance of the design is assessed for a simulated direct-drive γ-ray spectrum. Spanning its total γ-ray energy bandwidth and using a 1.7 mm thick boron conversion foil, the system’s total energy resolution and efficiency are ∼15.8%–4.5% and 5.4 × 10−7–3.7 × 10−7e−/γ, respectively, with room for improvement. Spectral γ-ray measurements will provide guidance to the inertial confinement fusion program toward achieving high-energy gain relevant to inertial fusion energy and enable new measurement capabilities for basic discovery science.

Instruments & Instrumentation↗
DOE OSTI2020

amPEPpy 1.0: a portable and accurate antimicrobial peptide prediction tool

Antimicrobial peptides (AMPs) are promising alternative antimicrobial agents. Currently, however, portable, user-friendly and efficient methods for predicting AMP sequences from genome-scale data are not readily available. In this work, we present amPEPpy, an open-source, multi-threaded command-line application for predicting AMP sequences using a random forest classifier.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Understanding Performance Portability of Bioinformatics Applications in SYCL on an NVIDIA GPU

Our goal is to have a better understanding of performance portability of SYCL kernels on a GPU. Toward this goal, we migrate representative kernels in bioinformatics applications from CUDA to SYCL, evaluate their performance on an NVIDIA GPU, and explain the performance gaps through performance profiling and analyses. We hope that the findings provide valuable feedback to the development of the SYCL ecosystem.

Jin, Zheming↗
DOE OSTI2024

Then and Now: Improving Software Portability, Productivity, and 100× Performance

The US Exascale Computing Project (ECP) has succeeded in preparing applications to run efficiently on the first reported Exascale supercomputers in the world. To achieve this, it modernized the whole leadership software stack, from libraries to simulation codes. In this article, we contrast selected leadership software before and after ECP. We discuss how sustainable research software development for leadership computing can embrace the conversation with the hardware vendors, the leadership computing facilities, the software community, and the domain scientists who are the application developers and integrators of software products. We elaborate on how software needs to take portability as a central design principle and to benefit from interdependent teams; we also demonstrate how moving to programming languages with high momentum, like modern C++, can help improve the sustainability, interoperability, and performance of research software. Finally, we showcase how cross-institutional efforts can enable algorithm advances that are beyond incremental performance optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Experiments to Quantify the Shielding Efficacy of Materials to be Implemented for Portable Shielding Enclosures that Adequately Mitigate EMI from Lighting Attachment Events

Mitigating electric and magnetic fields induced by lightning strike events is critical for the security and longevity of electrical components. Electromagnetic interference originating from a lightning strike is categorized into the low to medium frequency ranges, commonly referred to as the “magnetic coupling” regime. This low-frequency characteristic brings about the problem of shielding magnetic flux lines. Such shielding can be accomplished with highly conductive materials via the generation of eddy currents or by diverting the flux lines using materials with a large relative permeability. The shielding effectiveness of materials with varying thicknesses and geometry are tested using a pulse forming network having comparable characteristics to a scaled lighting strike. A four-stage Marx generator with a peak current of ~33 kA and a risetime of 1.4 μs is used as the pulse forming network to emulate the scaled electric and magnetic fields. The data collected from these experiments provide information and techniques that can be implemented into the design of a portable, deployable shielding enclosure.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

PANDA-FES: Portable and Adaptable Neutron Diagnostics for Advancing Fusion Energy Science

Nuclear fusion is a potential source of carbon-free electricity with many concepts in development. The Portable and Adaptable Neutron Diagnostics for Advancing Fusion Energy Science (PANDA-FES) suite has been deployed since 2021 to measure neutron yield, energy, and spatiotemporal source location at two different Z-pinch fusion devices. This diagnostic can be used at a variety of facilities pursuing fusion in the magnetic, inertial, and magneto-inertial regimes. These different regimes have a wide range of time scales from less than 100 ns to a few μ s, neutron yields from 10 6 to 10 11 , and noise environments. Neutron yield is measured through activation of 79 Br and 89 Y with calibrated detectors. Temporal, spatial, and energy dependence of neutrons is measured with scintillators coupled to photomultiplier tubes (PMTs). Experimental setups and data analysis methods have been developed for these conditions. Finally, neutron yield, neutron energy anisotropy, and spatiotemporal evolution of the source have been measured.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

STEPS: A Portable Numerical Simulation Toolkit for Electrical Power System Dynamic Studies

Numerical simulation is the key technique for large scale power system analysis. Redistribution of global renewable power via international interconnections requires new simulation tools to study the interconnected systems with different nominal frequencies as a whole. In this paper we introduce an open source simulation toolkit for electrical power systems (STEPS) which is hosted at Github. Its kernel is coded in C++ with major functions of power flow and electro-mechanical dynamic simulation. Flexible options are provided and configurable to improve power flow solution and dynamic simulation. Common devices and models are supported in STEPS for AC/DC hybrid system studies. Studies of interconnected systems with different nominal frequencies is supported in STEPS for research of international interconnection. Application program interfaces are provided and wrapped with Python to enable high-level interfaces for general applications. STEPS is thread safe and parallel computation is supported in both kernel and script levels to accelerate simulation. It is portable and works on Windows and GNU/Linux platforms. Cases from small to large scale systems are thoroughly tested to validate the toolkit with commercial packages as benchmarks.

42 ENGINEERING↗