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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 OSTI2020

US Department of Energy, Office of Science High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory's (ORNL's) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable computational ecosystems; creating innovative solutions for high performance computing (HPC) needs; and managing risks, safety, and security associated with operating some of the most powerful computers in the world. The results can be seen in the cutting-edge science conducted by users and the praise from the research community. Calendar year (CY) 2019 was a big year as OLCF staff ran five world-class resources (the leadershipclass computers Titan and Summit, the large analysis cluster called Eos, and the massive parallel filesystems called Atlas and Alpine)) and also began power and cooling upgrades for a 2021 exascale system called Frontier. While continuing exceptional operation of Titan, Eos, and Rhea, the OLCF released the Summit supercomputer for production on January 1, 2019. Summit debuted as the most capable and efficient system in its class and has been recognized as the most powerful system in the world for its performance on both the high performance linpack (HPL) and conjugate gradient (HPCG) benchmark applications since June 2018 according to TOP500. Summit represents the culmination of a multiyear effort between the OLCF, IBM, NVIDIA, and Mellanox to deliver a system that is unmatched for modeling, simulation, data analysis, and learning. To hit the ground running with science-ready applications on day one, application teams worked closely with the OLCF through the Center for Accelerated Application Readiness (CAAR) program for years in advance of the Summit deployment. CY 2019 was filled with outstanding results and accomplishments: a very high rating from users on overall satisfaction for the sixth year in a row; a tremendous amount of core-hours delivered to researchers from two leadership-class systems; and success in delivering on the allocation split of roughly 60%, 30%, and 10% of core-hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director's Discretionary (DD) programs, respectively (see Operational Performance section). These accomplishments, coupled with the high utilization rates (overall and capability usage), represent the fulfillment of the promise of both leadership-class machines: efficient facilitation of leadership-class computational applications. Table ES.1 presents a summary of the 2019 OLCF metric targets and the associated results. More information can be found in the Operational Performance section for each OLCF resource. The scientific accomplishments of OLCF users are a strong indication of long-term operational success, with publications this year in such notable journals and publications as Nature, Nature Physics, Nature Plants, Physical Review X, Journal of the American Physical Society, Cell, Nano Letters, and Trends in Biotechnology. Crucial domain-specific discoveries facilitated by resources at the OLCF are described in the High Performance Computing Facility Operational Assessment 2019 Oak Ridge Leadership Computing Facility (OAR) Strategic Results section. For example, researchers used Summit to pinpoint and understand the production of proteins from genetic information, including mutations and the functional expression of disease (Section 8.2).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

ORNL Campus Sustainability and Decarbonization using Waste Heat Recovery from the Oak Ridge Leadership Computing Facility’s High-Performance Computing Data Center

Heat pumps are a clean and efficient technology that can be powered by renewable electricity to transfer heat using a refrigerant from one place to another by different heat sources, making buildings clean and environmentally friendly. With the support of the ORNL Laboratory Modernization Division, this project explored and evaluated an innovative solution that uses water-water cost-effective midtemperature heat pump (MTHP) technology to leverage the low-grade waste heat from ORNL Frontier and the data center to deliver 85°C hot water, which replaces hot steam generated using natural gas combustion boilers for water heating or space heating in the buildings of ORNL campus. Two scenarios were studied. In the first scenario, which considered the 5600-5700-5800 complex only, Carrier’s commercial 1,000 kW MTHP technology achieves more than 6,640 MWh/year energy savings, an emission reduction of 858 TCO2e/year CO2, and a payback time of 4.85 years. In the second scenario, which considered the 5600-5700-5800 complex and Buildings 5100, 5200, and 5300, the CO2 emission reduction is 1,483 TCO2e/year, the operating cost savings are $0.21 million annually, and the payback time is 3.74 years. Additionally, a comprehensive HP ShowCase Tool was developed for evaluating the optimal solution to improve sustainability and decarbonization of the buildings on the ORNL campus. The tool is an Excel-based tool integrated with VBA (Visual Basic for Applications) coding. The tool includes collected ORNL campus building information and an MTHP library, which comprises collected commercial and ORNL-defined MTHPs. The tool was used to evaluate the sustainability and decarbonization of the ORNL campus. The tool can be widely used or referenced for heat pump solutions and building decarbonization renovation strategies to modernize ORNL facilities and energy use–intensive equipment to enable efficient, sustainable, and resilient operations in the future.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

Measuring and tuning energy efficiency on large scale high performance computing platforms.

Recognition of the importance of power in the field of High Performance Computing, whether it be as an obstacle, expense or design consideration, has never been greater and more pervasive. While research has been conducted on many related aspects, there is a stark absence of work focused on large scale High Performance Computing. Part of the reason is the lack of measurement capability currently available on small or large platforms. Typically, research is conducted using coarse methods of measurement such as inserting a power meter between the power source and the platform, or fine grained measurements using custom instrumented boards (with obvious limitations in scale). To collect the measurements necessary to analyze real scientific computing applications at large scale, an in-situ measurement capability must exist on a large scale capability class platform. In response to this challenge, we exploit the unique power measurement capabilities of the Cray XT architecture to gain an understanding of power use and the effects of tuning. We apply these capabilities at the operating system level by deterministically halting cores when idle. At the application level, we gain an understanding of the power requirements of a range of important DOE/NNSA production scientific computing applications running at large scale (thousands of nodes), while simultaneously collecting current and voltage measurements on the hosting nodes. We examine the effects of both CPU and network bandwidth tuning and demonstrate energy savings opportunities of up to 39% with little or no impact on run-time performance. Capturing scale effects in our experimental results was key. Our results provide strong evidence that next generation large-scale platforms should not only approach CPU frequency scaling differently, but could also benefit from the capability to tune other platform components, such as the network, to achieve energy efficient performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1991

Lanczos eigensolution method for high-performance computers

The theory, computational analysis, and applications are presented of a Lanczos algorithm on high performance computers. The computationally intensive steps of the algorithm are identified as: the matrix factorization, the forward/backward equation solution, and the matrix vector multiples. These computational steps are optimized to exploit the vector and parallel capabilities of high performance computers. The savings in computational time from applying optimization techniques such as: variable band and sparse data storage and access, loop unrolling, use of local memory, and compiler directives are presented. Two large scale structural analysis applications are described: the buckling of a composite blade stiffened panel with a cutout, and the vibration analysis of a high speed civil transport. The sequential computational time for the panel problem executed on a CONVEX computer of 181.6 seconds was decreased to 14.1 seconds with the optimized vector algorithm. The best computational time of 23 seconds for the transport problem with 17,000 degs of freedom was on the the Cray-YMP using an average of 3.63 processors.

Bostic, Susan W.↗
DOE OSTI2022

High Performance Computing Innovation Center Open Source Developer Tools

The High Performance Computing Innovation Center (HPCIC) aims to ease the transition for developers to use open source software provided by the lab. HPCIC Developer Tools is a collection of software, containers, cloud configurations, and associated documentation that make it easy to deploy tutorials or small apps to demonstrate lab-developed software. For example, building a tutorial container that includes lab software and interactive interfaces; a command line or web-based tool that accepts user preferences for the tutorial; supporting tools and software development kits (SDKs) for developer interactions or productivity in different languages embraced by the larger developer community such as Go, Rust, and Python; and automation in version control to support continued update of software and associated resources. These tools are best developed in an open source environment such as GitHub, not only to champion the lab's open source software, but for purposes of branding and demonstrating the lab's leadership in open source. Such an effort that brings in more developers to use and contribute to lab software can further improve the quality of the software, and developer experience at the lab.

Beckingsale, DavidA↗
DOE OSTI2017

Quantum Accelerators for High-performance Computing Systems

We define some of the programming and system-level challenges facing the application of quantum processing to high-performance computing. Alongside barriers to physical integration, prominent differences in the execution of quantum and conventional programs challenges the intersection of these computational models. Following a brief overview of the state of the art, we discuss recent advances in programming and execution models for hybrid quantum-classical computing. We discuss a novel quantum-accelerator framework that uses specialized kernels to offload select workloads while integrating with existing computing infrastructure. We elaborate on the role of the host operating system to manage these unique accelerator resources, the prospects for deploying quantum modules, and the requirements placed on the language hierarchy connecting these different system components. We draw on recent advances in the modeling and simulation of quantum computing systems with the development of architectures for hybrid high-performance computing systems and the realization of software stacks for controlling quantum devices. Finally, we present simulation results that describe the expected system-level behavior of high-performance computing systems composed from compute nodes with quantum processing units. We describe performance for these hybrid systems in terms of time-to-solution, accuracy, and energy consumption, and we use simple application examples to estimate the performance advantage of quantum acceleration.

Humble, Travis↗
DOE OSTI2013

Feng shui of supercomputer memory: positional effects in DRAM and SRAM faults. In: SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis

Several recent publications confirm that faults are common in high-performance computing systems. Therefore, further attention to the faults experienced by such computing systems is warranted. In this paper, we present a study of DRAM and SRAM faults in large high-performance computing systems. Our goal is to understand the factors that influence faults in production settings. We examine the impact of aging on DRAM, finding a marked shift from permanent to transient faults in the first two years of DRAM lifetime. We examine the impact of DRAM vendor, finding that fault rates vary by more than 4x among vendors. We examine the physical location of faults in a DRAM device and in a data center; contrary to prior studies, we find no correlations with either. Finally, we study the impact of altitude and rack placement on SRAM faults, finding that, as expected, altitude has a substantial impact on SRAM faults, and that top of rack placement correlates with 20% higher fault rate.

Sridharan, Vilas↗
DOE OSTI2021

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Validation of MCNP6 Version 1.0 with the ENDF/B-VII.1 Cross Section Library for Plutonium Metals, Oxides, and Solutions on the High Performance Computing Platform Moonlight

This report documents a validation of the MCNP6 Version 1.0 computer code on the high performance computing platform Moonlight, for operations at Los Alamos National Laboratory (LANL) that involve plutonium metals, oxides, and solutions. The validation is conducted using the ENDF/B-VII.1 continuous energy group cross section library at room temperature. The results are for use by nuclear criticality safety personnel in performing analysis and evaluation of various facility activities involving plutonium materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Mochi: Composing Data Services for High-Performance Computing Environments

Technology enhancements and the growing breadth of application workflows running on high-performance computing (HPC) platforms drive the development of new data services that provide high performance on these new platforms, provide capable and productive interfaces and abstractions for a variety of applications, and are readily adapted when new technologies are deployed. The Mochi framework enables composition of specialized distributed data services from a collection of connectable modules and subservices. Rather than forcing all applications to use a one-size-fits-all data staging and I/O software configuration, Mochi allows each application to use a data service specialized to its needs and access patterns. This paper introduces the Mochi framework and methodology. The Mochi core components and microservices are described. Examples of the application of the Mochi methodology to the development of four specialized services are detailed. Finally, a performance evaluation of a Mochi core component, a Mochi microservice, and a composed service providing an object model is performed. The paper concludes by positioning Mochi relative to related work in the HPC space and indicating directions for future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Microgrid Integration with High Performance Computing Systems for Microreactor Operation

Multiple nuclear microreactor concepts are currently being developed across several sizes and fuel types with high performance computing (HPC) systems anticipated to be end-users of the power. Nuclear microreactors are small in size, portable, produce less than 10 MW electric, operate autonomously, and have a refueling interval of as many as 10 years. However, their load-follow is also generally limited to 10%/minute or worse whereas the power variance in HPC systems easily exceeds this constraint under normal operations. This study explores an approach that requires no load-follow from the microreactor but integrates the HPC system with a microgrid built from commercial-off-the-shelf components. Three typical HPC architectures are explored in the context of microgrid operation in this study. Components of power quality and transient response are empirically measured for five different HPC load-follow response levels using a self-contained mobile datacenter connected to the microgrid capable of integration with a nuclear microreactor.

microgrids↗
DOE OSTI2020

Advanced High-Performance Computational Modeling of the Seismic Response of High-Hazard and/or Nuclear Facilities and Critical Infrastructure at the NNSS

New methods for predicting the amplitude and variability of ground shaking from earthquakes (and explosions) are needed for seismic hazard analysis for buildings, nuclear power plants, and critical infrastructure at the NNSS. We are comparing existing 1-D and new 3-D geophysical methods for estimating the shear-wave velocity structure in the upper 30 meters of the ground surface (Vs30), which plays a major role in ground motion amplification and seismic response of buildings. We evaluate the performance of these methodologies at the U1a Complex at the NNSS and develop simple 1-D and high-resolution 3-D Vs30 models. We then emplace these high-resolution models into a background seismic velocity model. We will collaborate with Lawrence Livermore National Laboratory (LLNL) to conduct numerical modeling of the ground shaking at the NNSS using their high-performance computing technology and state-of-the-art ground motion simulation methodology. The primary work that was completed in FY 2019 was to acquire the seismic systems and familiarize staff at the NNSS with their use. We also worked on developing a collection plan with the Device Assembly Facility (DAF) at the NNSS, but due to time constraints and other ongoing projects at the DAF, we had to use U1a as a backup. We were able to coordinate the seismic survey, and we will complete the collection of seismic data in FY 2020. Additionally, during FY 2019, we completed the geologic framework model (GFM) for the U1a Complex and modeled the Yucca fault. LLNL worked with us through FY 2019 to prepare the data files for their modeling software and tested the software for reliability. In FY 2020 we will develop the end-to-end capability so that any facility could easily be modeled and the expected shaking from a local earthquake understood. The work in FY 2020 will include building fault models from the GFM and finalizing the velocity model analysis. The final simulations will be run for multiple rupture models, and final assessments will demonstrate the seismic hazard at the U1a Complex.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Prediction and characterization of application power use in a high-performance computing environment

Power use in data centers and high-performance computing (HPC) facilities has grown in tandem with increases in the size and number of these facilities. Substantial innovation is needed to enable meaningful reduction in energy footprints in leadership-class HPC systems. In this paper, we focus on characterizing and investigating application-level power usage. We demonstrate potential methods for predicting power usage based on a priori and in situ characteristics. Lastly, we highlight a potential use case of this method through a simulated power-aware scheduler using historical jobs from a real scientific HPC system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Privacy Preservation from High-Performance Computing to Autonomous Science [Industrial and Governmental Activities]

High-Performance Computing (HPC) and Leadership-Class Supercomputing are driving forces behind scientific advancements, enabling researchers to tackle complex challenges in physics, chemistry, biology, and engineering. These systems power vast simulations and data analyses, fueling discoveries in fields ranging from materials science to climate modeling. However, their use often involves processing sensitive data—such as proprietary industry simulations, biomedical records, and national security computations—posing significant privacy concerns. In conclusion, this issue is amplified in collaborative environments like Department of Energy (DOE) user facilities, where HPC resources are shared across institutions to foster innovation.

Kotevska, Olivera [Oak Ridge National Laboratory (↗
DOE OSTI2024

Transforming Energy Through Computational Excellence: NREL HPC Resources for High Performance Computing for Energy Innovation (HPC4EI) Program

NREL hosts computing facilities for the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). In 2024, NREL introduced Kestrel, the 3rd generation, EERE-sponsored supercomputer dedicated to renewable energy and energy efficiency research. Kestrel has already been used for hundreds of research projects by NREL, other national laboratories, and university partners. This includes HPC4EI-sponsored industrial partnerships.

high-performance computing↗
DOE OSTI2022

Anomalous And Normal High Performance Computing Datacenter Activities

This code provides annotation and an interface to 10+ hours of video activities in a high performance datacenter with 20+ different types of anomalous activities. The purpose is to enable machine learning for video surveillance systems in high performance computing centers. This is the first code of this type addressing the space of high performance computing datacenters.

Anderson, Matthew↗