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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 OSTI2018

Job Management with mpi_jm

About this book: This book constitutes the refereed post-conference proceedings of 13 workshops held at the 33rd International ISC High Performance 2018 Conference, in Frankfurt, Germany, in June 2018: HPC I/O in the Data Center, HPC-IODC 2018; Workshop on Performance and Scalability of Storage Systems, WOPSSS 2018; 13th Workshop on Virtualization in High­-Performance Cloud Computing, VHPC 2018; Third International Workshop on In Situ Visualization, WOIV 2018; 4th International Workshop on Communication Architectures for HPC, Big Data, Deep Learning and Clouds at Extreme Scale, ExaComm 2018; International Workshop on OpenPOWER for HPC, IWOPH 2018; IXPUG Workshop: Many-Core Computing on Intel Processors; Workshop on Sustainable Ultrascale Computing Systems; Approximate and Transprecision Computing on Emerging Technologies, ATCET 2018; First Workshop on the Convergence of Large-Scale Simulation and Artificial Intelligence; Third Workshop for Open Source Supercomputing, OpenSuCo 2018; First Workshop on Interactive High-Performance Computing; Workshop on Performance Portable Programming Models for Accelerators, P^3MA 2018. The 53 full papers included in this volume were carefully reviewed and selected from 80 submissions. They cover all aspects of research, development, and application of large-scale, high performance experimental and commercial systems. Topics include HPC computer architecture and hardware; programming models, system software, and applications; solutions for heterogeneity, reliability, power efficiency of systems; virtualization and containerized environments; big data and cloud computing; and artificial intelligence.

Berkowitz, Evan↗
DOE OSTI2020

Software Framework for Federated Science Instruments

There is an unprecedented promise of enhanced capabilities for federations of leadership computing systems and experimental science facilities by leveraging software technologies for fast and efficient operations. These federations seek to unify different science instruments, both computing and experimental, to effectively support science users and operators to execute complex workflows. The FedScI project addresses the software challenges associated with the formation and operation of federated environments by leveraging recent advances in containerization of software and softwarization of hardware. We propose a software framework to streamline the federation usage by science users and it’s provisioning and operations by facility providers. A distinguishing element of our work is the support for improved interaction between experimental devices, such as beam-line instruments, and more traditional high-performance computing resources, including compute, network, storage systems. We present guiding principles for the software framework and highlight portions of a current prototype implementation. We describe our science use case involving neutron imaging beam-lines (SNAP/BL-3, Imaging/CG-1D) at the Spallation Neutron Source and High Flux Isotope Reactor facilities at Oak Ridge National Laboratory. Additionally, we detail plans for a more direct instrument interaction within a federated environment, which could enable more advanced workflows with feedback loops to shorten the time to science.

Naughton III, Thomas↗
NASA NTRS1987

The use of transputers in processing telemetry data

Parallelism will be an essential ingredient of high performance systems of the future. The Inmos transputer is a high performance single-chip computer whose architecture facilitates the construction of parallel processing systems. Occam is a high level language developed for use with the Inmos transputer. This paper describes a project to evaluate the feasibility of using the transputer to implement real time processing of telemetry data.

Delgado, Hugo M., Jr.↗
DOE OSTI2026

Latent heat thermal energy storage performance maps enabling fast & accurate building energy simulations

Thermal energy storage (TES) using phase change materials (PCMs) has gained attention as an effective approach to manage energy demand fluctuations and shift peak building loads. PCM embedded heat exchangers (PCM-HXs) offer high energy storage density and low temperature variation during phase change, being suitable for load-shifting applications. However, this component is typically evaluated using computationally expensive methods, which present significant challenges when the ultimate goal is to assess the performance of PCM-HX integrated thermal energy storage systems in the full building context. In this paper, we present a methodology to generate highly accurate and computationally efficient PCM-HX performance maps which can be easily integrated into building energy simulation tools to analyze the feasibility of space conditioning systems with latent heat PCM-based TES. The performance maps are generated using a computationally efficient PCM-HX simulation tool based on a Generalized Resistance-Capacitance Model (GRCM) which can simulate arbitrary PCM-HXs with high accuracy and significantly less computational effort compared to full CFD simulations. The methodology was verified for a case study considering a 5-ton (~17.5 kW) air-to-water heat pump-thermal energy storage system (HP-TES), which was co-simulated in Modelica for a DOE prototype small-office building in Vienna, Austria, using Spawn of EnergyPlus™. The TES performance maps provided accurate predictions of PCM-HX behavior when used as Modelica component, with deviations within 2-4% while also achieving at least 103 computational time reduction. Leveraging this faster prediction capability, four PCMs with different melting temperatures for cooling (12°C, 16°C) and heating (31°C, 36°C) were assessed to investigate their impact on system performance. This work highlights the importance of robust PCM-HX models for efficient and high-fidelity building-level simulations, presenting new opportunities for advanced control strategy development and parametric analysis of TES configurations in a computationally efficient manner

Modelica Building Simulations↗
NASA NTRS1991

High performance network and channel-based storage

In the traditional mainframe-centered view of a computer system, storage devices are coupled to the system through complex hardware subsystems called input/output (I/O) channels. With the dramatic shift towards workstation-based computing, and its associated client/server model of computation, storage facilities are now found attached to file servers and distributed throughout the network. We discuss the underlying technology trends that are leading to high performance network-based storage, namely advances in networks, storage devices, and I/O controller and server architectures. We review several commercial systems and research prototypes that are leading to a new approach to high performance computing based on network-attached storage.

Katz, Randy H.↗
NASA NTRS2016

IN13B-1660: Analytics and Visualization Pipelines for Big Data on the NASA Earth Exchange (NEX) and OpenNEX

We are developing capabilities for an integrated petabyte-scale Earth science collaborative analysis and visualization environment. The ultimate goal is to deploy this environment within the NASA Earth Exchange (NEX) and OpenNEX in order to enhance existing science data production pipelines in both high-performance computing (HPC) and cloud environments. Bridging of HPC and cloud is a fairly new concept under active research and this system significantly enhances the ability of the scientific community to accelerate analysis and visualization of Earth science data from NASA missions, model outputs and other sources. We have developed a web-based system that seamlessly interfaces with both high-performance computing (HPC) and cloud environments, providing tools that enable science teams to develop and deploy large-scale analysis, visualization and QA pipelines of both the production process and the data products, and enable sharing results with the community. Our project is developed in several stages each addressing separate challenge - workflow integration, parallel execution in either cloud or HPC environments and big-data analytics or visualization. This work benefits a number of existing and upcoming projects supported by NEX, such as the Web Enabled Landsat Data (WELD), where we are developing a new QA pipeline for the 25PB system.

visualization↗
DOE OSTI2023

Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources

Applications which fuse machine learning and simulation are rarely best served by a single computing resource. Highly parallel simulation codes are best deployed on super- computers, while AI tasks used to decide which simulations to perform may be best suited to specialized accelerators. Here we present a Function-as-a-Service (FaaS) system for executing complex, distributed computational campaigns that achieves performance parity with conventional workflow systems without the complexities of secure network connections between compute providers. One innovation enabling high performance is a subsystem that directly moves task data between sites, separate from the cloud-hosted FaaS system used to distribute task instructions. We also introduce a flexible scheduling system that allows us access factor of 2 trade offs between the amount of resources required to solve a problem at each compute site. We anticipate that this system will upgrade multi-site applications from demonstration projects to routine practice in computational science.

Ward, Logan↗
NASA NTRS1986

Integrating Computer Architectures into the Design of High-Performance Controllers

Modern control systems must typically perform real-time identification and control, as well as coordinate a host of other activities related to user interaction, on-line graphics, and file management. This paper discusses five global design considerations that are useful to integrate array processor, multimicroprocessor, and host computer system architecture into versatile, high-speed controllers. Such controllers are capable of very high control throughput, and can maintain constant interaction with the non-real-time or user environment. As an application example, the architecture of a high-speed, closed-loop controller used to actively control helicopter vibration will be briefly discussed. Although this system has been designed for use as the controller for real-time rotorcraft dynamics and control studies in a wind-tunnel environment, the control architecture can generally be applied to a wide range of automatic control applications.

Jacklin, Stephen A.↗
NASA NTRS1992

High-performance network and channel based storage

In the traditional mainframe-centered view of a computer system, storage devices are coupled to the system through complex hardware subsystems called I/O channels. With the dramatic shift toward workstation-based computing, and its associated client/server model of computation, storage facilities are now found attached to file servers and distributed throughout the network. In this paper, we discuss the underlying technology trends that are leading to high-performance network-based storage, namely advances in networks, storage devices, and I/O controller and server architectures. We review several commercial systems and research prototypes that are leading to a new approach to high-performance computing based on network-attached storage.

Katz, Randy H.↗
DOE OSTI2019

MPMC and MCMD: Free High-Performance Simulation Software for Atomistic Systems

Advancements in parallel computing and hardware have allowed computational exploration of chemical systems of interest with unprecendented accuracy and efficiency. The typical development of molecular simulation software is initially inspired by a particular scientific inquiry. The softwares presented herein, MPMC (Massively Parallel Monte Carlo) and MCMD (Monte Carlo/Molecular Dynamics) were born out of a pursuit to simulate condensed phase physical and chemical interactions in porous materials. MPMC first began in 2005 and has been used for dozens of published results in the literature but has not yet been introduced in a standalone paper. MCMD is a more recent expansion and re-write with some published work, focused on adding molecular dynamics algorithms for transport and other time-dependent properties of chemical systems. Each software functions as a standalone with some unique and other overlapping features. Here, a driving aim of this work is to consider periodic, long-range polarization effects in classical simulation, and both codes are optimized to perform such calculations. Sample results will be presented which highlight methodically that inclusion of explicit polarization produces simulation results with predictive power which in general are in greater agreement with experiment than non-polarizable analogous simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

Implementing Access to Data Distributed on Many Processors

A reference architecture is defined for an object-oriented implementation of domains, arrays, and distributions written in the programming language Chapel. This technology primarily addresses domains that contain arrays that have regular index sets with the low-level implementation details being beyond the scope of this discussion. What is defined is a complete set of object-oriented operators that allows one to perform data distributions for domain arrays involving regular arithmetic index sets. What is unique is that these operators allow for the arbitrary regions of the arrays to be fragmented and distributed across multiple processors with a single point of access giving the programmer the illusion that all the elements are collocated on a single processor. Today's massively parallel High Productivity Computing Systems (HPCS) are characterized by a modular structure, with a large number of processing and memory units connected by a high-speed network. Locality of access as well as load balancing are primary concerns in these systems that are typically used for high-performance scientific computation. Data distributions address these issues by providing a range of methods for spreading large data sets across the components of a system. Over the past two decades, many languages, systems, tools, and libraries have been developed for the support of distributions. Since the performance of data parallel applications is directly influenced by the distribution strategy, users often resort to low-level programming models that allow fine-tuning of the distribution aspects affecting performance, but, at the same time, are tedious and error-prone. This technology presents a reusable design of a data-distribution framework for data parallel high-performance applications. Distributions are a means to express locality in systems composed of large numbers of processor and memory components connected by a network. Since distributions have a great effect on the performance of applications, it is important that the distribution strategy is flexible, so its behavior can change depending on the needs of the application. At the same time, high productivity concerns require that the user be shielded from error-prone, tedious details such as communication and synchronization.

James, Mark↗
NASA NTRSDate not supplied

Enabling Reliable, Fault-Tolerant Autonomous Lunar Habitats with High-Performance Spaceflight Computing

The lunar surface presents unfavorable constraints and harsh living conditions. To address these challenges, autonomous habitats will require complex integrated systems that combine advanced software, high-performance hardware, and cutting-edge sensors to ensure sustainability, safety, and operational efficiency. Consequently, maintaining a sustainable presence on the Moon requires reliable infrastructure and efficient development, precise monitoring, and utilization of resources within a lunar installation. These elements are essential not only to ensure that lunar settlement can be long-term, self-sustaining, and resource-efficient, but also to serve as a foundation for future missions and eventual human habitation on Mars. Humans are not native to the Moon; therefore, our survival and ability to thrive will depend on autonomous systems that can foster safety and resilience through high-availability architectures, graceful degradation, and highly fault-tolerant spaceflight hardware capable of continuing operation during failures. This requires advanced human-rated distributed systems architectures with specialized electronics, scalable capabilities, and an integrated design approach. Unlike current practices focused on short-term missions and regularly maintained components, permanent lunar compute systems must be designed for extended operations beyond mission durations. This paper explores the necessity of transitioning toward fault- tolerant, highly autonomous hardware systems designed for multi-year missions. It also identifies critical subsystems that require high levels of autonomy, supported by radiation-hardened processors and extreme thermal loads, which are essential to mitigate long-term degradation and ensure sustainable lunar habitation. Finally, the paper aligns with NASA’s identified Civil Space Shortfalls, particularly in high-performance onboard computing, advanced data acquisition, extreme-environment avionics, radiation monitoring and countermeasures, and autonomous health management. It proposes NASA’s new High-Performance Spaceflight Computing (HPSC) processor as a turnkey solution, delivering 100 times the performance-per-watt of legacy rad-hard CPUs and enabling onboard AI, edge computing, and fault-tolerant features essential for sustained lunar autonomy and beyond.

Sarkis S Mikaelian↗
NASA NTRS1991

Robo-line storage: Low latency, high capacity storage systems over geographically distributed networks

Rapid advances in high performance computing are making possible more complete and accurate computer-based modeling of complex physical phenomena, such as weather front interactions, dynamics of chemical reactions, numerical aerodynamic analysis of airframes, and ocean-land-atmosphere interactions. Many of these 'grand challenge' applications are as demanding of the underlying storage system, in terms of their capacity and bandwidth requirements, as they are on the computational power of the processor. A global view of the Earth's ocean chlorophyll and land vegetation requires over 2 terabytes of raw satellite image data. In this paper, we describe our planned research program in high capacity, high bandwidth storage systems. The project has four overall goals. First, we will examine new methods for high capacity storage systems, made possible by low cost, small form factor magnetic and optical tape systems. Second, access to the storage system will be low latency and high bandwidth. To achieve this, we must interleave data transfer at all levels of the storage system, including devices, controllers, servers, and communications links. Latency will be reduced by extensive caching throughout the storage hierarchy. Third, we will provide effective management of a storage hierarchy, extending the techniques already developed for the Log Structured File System. Finally, we will construct a protototype high capacity file server, suitable for use on the National Research and Education Network (NREN). Such research must be a Cornerstone of any coherent program in high performance computing and communications.

Katz, Randy H.↗
DOE OSTI2021

2021 Q1 Project Report: Optimized Bifacial PV Systems (Q1 FY2021 Project Report)

This project has four main technical objectives: 1) Develop and improve bifacial performance models by adding the capability to evaluate electrical behavior and performance of bifacial modules and arrays under realistic field conditions including irradiance variability caused by racking, module frame, and position in the array. 2) Instrument and monitor performance of fielded bifacial systems to validate performance models and to measure, analyze and publish on bifacial energy gain. These should include both research and commercial bifacial systems and cover a variety of deployment applications. 3) Evaluate optimal bifacial system designs using simulations leveraging high-performance computing, and also using full sized and miniaturized experimental field deployments. 4) Establish and contribute to international test standards for bifacial system performance, testing, and safety, and work with the community to establish installation and siting best practices.

42 ENGINEERING↗
DOE OSTI2020

The Minos Computing Library: Efficient Parallel Programming for Extremely Heterogeneous Systems

Hardware specialization has become the silver bullet to achieve efficient high performance, from Systems-on-Chip systems, where hardware specialization can be ``extreme'', to large-scale HPC systems. As the complexity of the systems increases, so does the complexity of programming such architectures in a portable way. This work introduces the Minos Computing Library (MCL), as system software, programming model, and programming model runtime that facilitate programming extremely heterogeneous systems. MCL supports the execution of several multi-threaded applications within the same compute node, performs asynchronous execution of application tasks, efficiently balances computation across hardware resources, and provides performance portability. We show that code developed on a personal desktop automatically scales up to fully utilize powerful workstations with 8 GPUs and down to power-efficient embedded systems. MCL provides up to 17.5x speedup over OpenCL on NVIDIA DGX-1 systems and up to 1.88x speedup on single-GPU systems. In multi-application workloads, MCL dynamically resource allocation provides up to 2.43x performance improvement over manual, static allocation of computing resources.

Gioiosa, Roberto↗
DOE OSTI2019

A parallel workflow implementation for PEST version 13.6 in high-performance computing for WRF-Hydro version 5.0: a case study over the midwestern United States

The Weather Research and Forecasting Hydrological (WRF-Hydro) system is a state-of-the-art numerical model that models the entire hydrological cycle based on physical principles. As with other hydrological models, WRF-Hydro parameterizes many physical processes. Hence, WRF-Hydro needs to be calibrated to optimize its output with respect to observations for the application region. When applied to a relatively large domain, both WRF-Hydro simulations and calibrations require intensive computing resources and are best performed on multimode, multicore high-performance computing (HPC) systems. Typically, each physics-based model requires a calibration process that works specifically with that model and is not transferrable to a different process or model. The parameter estimation tool (PEST) is a flexible and generic calibration tool that can be used in principle to calibrate any of these models. In its existing configuration, however, PEST is not designed to work on the current generation of massively parallel HPC clusters. To address this issue, we ported the parallel PEST to HPCs and adapted it to work with WRF-Hydro. The porting involved writing scripts to modify the workflow for different workload managers and job schedulers, as well as to connect the parallel PEST to WRF-Hydro. To test the operational feasibility and the computational benefits of this first-of-its-kind HPC-enabled parallel PEST, we developed a case study using a flood in the midwestern United States in 2013. Results on a problem involving the calibration of 22 parameters show that on the same computing resources used for parallel WRF-Hydro, the HPC-enabled parallel PEST can speed up the calibration process by a factor of up to 15 compared with commonly used PEST in sequential mode. The speedup factor is expected to be greater with a larger calibration problem (e.g., more parameters to be calibrated or a larger size of study area).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Multidisciplinary propulsion simulation using the numerical propulsion system simulator (NPSS)

Implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributions to the high cost is the need to perform many large scale system tests. The traditional design analysis procedure decomposes the engine into isolated components and focuses attention on each single physical discipline (e.g., fluid for structural dynamics). Consequently, the interactions that naturally occur between components and disciplines can be masked by the limited interactions that occur between individuals or teams doing the design and must be uncovered during expensive engine testing. This overview will discuss a cooperative effort of NASA, industry, and universities to integrate disciplines, components, and high performance computing into a Numerical propulsion System Simulator (NPSS).

Claus, Russel W.↗