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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

hPIC2: A hardware-accelerated, hybrid particle-in-cell code for dynamic plasma-material interactions

The exascale era of high performance computing promises to bring the field of computational plasma physics ever closer to the goal of accurate multiscale modeling. Such computers will rely on hardware acceleration to offload work to dedicated components, notably general-purpose graphics processing units (GPUs). However, devices from different manufacturers require software to be written with different parallel programming models, greatly increasing the code maintenance burden of applications designed to perform on more than one such device. hPIC2 is a hybrid plasma simulation code developed with the Kokkos performance portability framework to target the architectures that will drive exascale computing for the foreseeable future. As a hybrid simulation code, hPIC2 investigates the simultaneous use of various plasma models on the same domain, at the same time. hPIC2 also optionally couples to RustBCA, which accurately models ion-material interactions using the binary collision approximation (BCA) method. In conclusion, hPIC2 therefore achieves scalable performance on a variety of computing architectures when simulating complex and diverse plasmas, particularly near plasma-material interfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2004

Computation of Sensitivity Derivatives of Navier-Stokes Equations using Complex Variables

Accurate computation of sensitivity derivatives is becoming an important item in Computational Fluid Dynamics (CFD) because of recent emphasis on using nonlinear CFD methods in aerodynamic design, optimization, stability and control related problems. Several techniques are available to compute gradients or sensitivity derivatives of desired flow quantities or cost functions with respect to selected independent (design) variables. Perhaps the most common and oldest method is to use straightforward finite-differences for the evaluation of sensitivity derivatives. Although very simple, this method is prone to errors associated with choice of step sizes and can be cumbersome for geometric variables. The cost per design variable for computing sensitivity derivatives with central differencing is at least equal to the cost of three full analyses, but is usually much larger in practice due to difficulty in choosing step sizes. Another approach gaining popularity is the use of Automatic Differentiation software (such as ADIFOR) to process the source code, which in turn can be used to evaluate the sensitivity derivatives of preselected functions with respect to chosen design variables. In principle, this approach is also very straightforward and quite promising. The main drawback is the large memory requirement because memory use increases linearly with the number of design variables. ADIFOR software can also be cumber-some for large CFD codes and has not yet reached a full maturity level for production codes, especially in parallel computing environments.

Vatsa, Veer N.↗
DOE OSTI2020

A space-time parallel algorithm with adaptive mesh refinement for computational fluid dynamics

This work describes a space-time parallel algorithm with space-time adaptive mesh refinement (AMR). AMR with subcycling is added to multigrid reduction-in-time (MGRIT) in order to provide solution efficient adaptive grids with a reduction in work performed on coarser grids. This algorithm is achieved by integrating two software libraries: XBraid (Parallel time integration with multigrid. https://computation.llnl.gov/projects/parallel-timeintegration-multigrid) and Chombo (Chombo software package for AMR applications—design document, 2014). The former is a parallel time integration library using multigrid and the latter is a massively parallel structured AMR library. Employing this adaptive space-time parallel algorithm is Chord (Comput Fluids 123:202–217, 2015), a computational fluid dynamics (CFD) application code for solving compressible fluid dynamics problems. For the same solution accuracy, speedups are demonstrated from the use of space-time parallelization over the time-sequential integration on Couette flow and Stokes’ second problem. On a transient Couette flow case, at least a 1.5× speedup is achieved, and with a time periodic problem, a speedup of up to 13.7× over the time-sequential case is obtained. In both cases, the speedup is achieved by adding processors and exploring additional parallelization in time. The numerical experiments show the algorithm is promising for CFD applications that can take advantage of the time parallelism. Future work will focus on improving the parallel performance and providing more tests with complex fluid dynamics to demonstrate the full potential of the algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Chapter 1: Looking Forward: The Promise and Challenge of Exascale Computing

The demand for HFM development and HPC resources for improved predictive modelling capability for wind energy will continue to grow as industry and government seek solutions to (1) mitigate risk and uncertainty of technology development at multimegawatt-turbine scales, (2) address new requirements driving renewable energy deployment and high -penetration scenarios, (3) understand the impacts of multiple gigawatt-scale plant deployments on microclimatology and grid architectures for both land-based and offshore installation, and (4) evolve the systems and processes needed for the dispatch of renewable energy generation on a national scale supporting a mix of power-generation technologies. When considering the cost of developing a new offshore multimegawatt commercial wind turbine product line or the financial risk of a large offshore wind plant deployment, predictive HPC and HFM simulations that incorporate integrated design, cost analysis, and O&M predictions will become an essential part of the early design and development process.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Performance analysis of a large-grain dataflow scheduling paradigm

A paradigm for scheduling computations on a network of multiprocessors using large-grain data flow scheduling at run time is described and analyzed. The computations to be scheduled must follow a static flow graph, while the schedule itself will be dynamic (i.e., determined at run time). Many applications characterized by static flow exist, and they include real-time control and digital signal processing. With the advent of computer-aided software engineering (CASE) tools for capturing software designs in dataflow-like structures, macro-dataflow scheduling becomes increasingly attractive, if not necessary. For parallel implementations, using the macro-dataflow method allows the scheduling to be insulated from the application designer and enables the maximum utilization of available resources. Further, by allowing multitasking, processor utilizations can approach 100 percent while they maintain maximum speedup. Extensive simulation studies are performed on 4-, 8-, and 16-processor architectures that reflect the effects of communication delays, scheduling delays, algorithm class, and multitasking on performance and speedup gains.

Young, Steven D.↗
DOE OSTI2014

FOX: A Fault Oblivious Extreme-Scale Execution Environment

The FOX project, funded under the ASCR X-stack I program, developed systems software and runtime libraries for a new approach to the data and work distribution for massively parallel, fault oblivious application execution. Our work was motivated by the premise that exascale computing systems will provide a thousand-fold increase in parallelism and a proportional increase in failure rate relative to today’s machines. To deliver the capability of exascale hardware, the systems software must provide the infrastructure to support existing applications while simultaneously enabling efficient execution of new programming models that naturally express dynamic, adaptive, irregular computation; coupled simulations; and massive data analysis in a highly unreliable hardware environment with billions of threads of execution. Our OS research has prototyped new methods to provide efficient resource sharing, synchronization, and protection in a many-core compute node. We have experimented with alternative task/dataflow programming models and shown scalability in some cases to hundreds of thousands of cores. Much of our software is in active development through open source projects. Concepts from FOX are being pursued in next generation exascale operating systems. Our OS work focused on adaptive, application tailored OS services optimized for multi → many core processors. We developed a new operating system NIX that supports role-based allocation of cores to processes which was released to open source. We contributed to the IBM FusedOS project, which promoted the concept of latency-optimized and throughput-optimized cores. We built a task queue library based on distributed, fault tolerant key-value store and identified scaling issues. A second fault tolerant task parallel library was developed, based on the Linda tuple space model, that used low level interconnect primitives for optimized communication. We designed fault tolerance mechanisms for task parallel computations employing work stealing for load balancing that scaled to the largest existing supercomputers. Finally, we implemented the Elastic Building Blocks runtime, a library to manage object-oriented distributed software components. To support the research, we won two INCITE awards for time on Intrepid (BG/P) and Mira (BG/Q). Much of our work has had impact in the OS and runtime community through the ASCR Exascale OS/R workshop and report, leading to the research agenda of the Exascale OS/R program. Our project was, however, also affected by attrition of multiple PIs. While the PIs continued to participate and offer guidance as time permitted, losing these key individuals was unfortunate both for the project and for the DOE HPC community.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

RAMP: A fault tolerant distributed microcomputer structure for aircraft navigation and control

RAMP consists of distributed sets of parallel computers partioned on the basis of software and packaging constraints. To minimize hardware and software complexity, the processors operate asynchronously. It was shown that through the design of asymptotically stable control laws, data errors due to the asynchronism were minimized. It was further shown that by designing control laws with this property and making minor hardware modifications to the RAMP modules, the system became inherently tolerant to intermittent faults. A laboratory version of RAMP was constructed and is described in the paper along with the experimental results.

Dunn, W. R.↗
DOE OSTI2020

Open Source Platform for Live Processing of High Data Rate Electron Microscopy (SBIR Phase I Award Topic 15, Subtopic B, Final Scientific / Technical Report)

4D scanning transmission electron microscopy (STEM) is experiencing a revolution both in terms of data size, and data veracity, as are many other areas of experimental data acquisition. This presents enormous opportunities to make new scientific discoveries, but is also hamstrung by aging software that is no longer fit for purpose. Experimental data acquisition platforms must make the same investments in software infrastructure that the simulation community made decades ago to take advantage of high-performance computing (HPC) if they hope to realize the full potential of the latest advances made in detector technology. This requires rethinking the design and deployment of hardware, moving away from small, fixed commodity computing capabilities with closed interfaces to open, modular, scalable systems designed for parallelism and throughput. The technical approach will leverage best-in-class open source technologies, and develop new approaches strategically to build an open source platform for experimental data acquisition targeting high data rate electron microscopy. The project will develop a software platform that uses the power and performance of modern HPC resources to ingest the large volume of data produced by electron microscopes using direct electron detectors. A set of configurable pipelines will be used to enable the processing to be tailored to the problem being investigated with builtin visualization of data at interactive rates. This project will leverage investments made by the DOE and other agencies to provide a powerful software platform for the experimental data community working with most powerful electron microscopes, such as 4D STEM detectors. It will create a platform that serves as a reference for the community. Permissive open source licensing will make the platform available to all, with a simple deployment strategy offering the ability to keep data close to where it is generated. This advanced software platform will require customization for each deployment, creating opportunities for software services that are typically offered to extend open source software platforms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

NASA Tech Briefs, August 2003

Topics covered include: Stable, Thermally Conductive Fillers for Bolted Joints; Connecting to Thermocouples with Fewer Lead Wires; Zipper Connectors for Flexible Electronic Circuits; Safety Interlock for Angularly Misdirected Power Tool; Modular, Parallel Pulse-Shaping Filter Architectures; High-Fidelity Piezoelectric Audio Device; Photovoltaic Power Station with Ultracapacitors for Storage; Time Analyzer for Time Synchronization and Monitor of the Deep Space Network; Program for Computing Albedo; Integrated Software for Analyzing Designs of Launch Vehicles; Abstract-Reasoning Software for Coordinating Multiple Agents; Software Searches for Better Spacecraft-Navigation Models; Software for Partly Automated Recognition of Targets; Antistatic Polycarbonate/Copper Oxide Composite; Better VPS Fabrication of Crucibles and Furnace Cartridges; Burn-Resistant, Strong Metal-Matrix Composites; Self-Deployable Spring-Strip Booms; Explosion Welding for Hermetic Containerization; Improved Process for Fabricating Carbon Nanotube Probes; Automated Serial Sectioning for 3D Reconstruction; and Parallel Subconvolution Filtering Architectures.

Source record↗
DOE OSTI2014

Best Practices and Lessons Learned from Deploying and Operating Large-Scale Data-Centric Parallel File Systems, In: SC '14: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

The Oak Ridge Leadership Computing Facility (OLCF) has deployed multiple large-scale parallel file systems (PFS) to support its operations. During this process, OLCF acquired significant expertise in large-scale storage system design, file system software development, technology evaluation, benchmarking, procurement, deployment, and operational practices. Based on the lessons learned from each new PFS deployment, OLCF improved its operating procedures, and strategies. This paper provides an account of our experience and lessons learned in acquiring, deploying, and operating large-scale parallel file systems. We believe that these lessons will be useful to the wider HPC community.

Computer Science↗
DOE OSTI2021

AXEAP (ARGONNE X-RAY EMISSION PACKAGE)

Argonne X-ray Emission Package (AXEAP), a singular purpose software package for processing X-ray emission (XES) images collected with a 2-dimensional position sensitive pixel array detector, has been developed. AXEAP can rapidly convert XES image files into a spectral form by applying parallel computation and unsupervised machine learning to compute vast amount of image data. Special focus has been placed on designing user-friendly-interface for processing multiple edges, non-resonant and resonant x-ray emission image analysis, in order to make data processing quick and easy. AXEAP is free software and is written in MATLAB, armed with powerful libraries and toolboxes. The software runs on all common operating systems such as Linux, Window, and Mac.

SUN, CHENGJUN↗
DOE OSTI2021

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Automation and optimization of chemical systems require well-informed decisions on what experiments to run to reduce time, materials, and/or computations. Data-driven active learning algorithms have emerged as valuable tools to solve such tasks. Bayesian optimization, a sequential global optimization approach, is a popular active-learning framework. Past studies have demonstrated its efficiency in solving chemistry and engineering problems. Here we introduce NEXTorch, a library in Python/PyTorch, to facilitate laboratory or computational design using Bayesian optimization. NEXTorch offers fast predictive modeling, flexible optimization loops, visualization capabilities, easy interfacing with legacy software, and multiple types of parameters and data type conversions. It provides GPU acceleration, parallelization, and state-of-the-art Bayesian optimization algorithms and supports both automated an d human-in-the-loop optimization. The comprehensive online documentation introduces Bayesian optimization theory and several examples from catalyst synthesis, reaction condition optimization, parameter estimation, and reactor geometry optimization. NEXTorch is open-source and available on GitHub

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

A new parallel-vector finite element analysis software on distributed-memory computers

A new parallel-vector finite element analysis software package MPFEA (Massively Parallel-vector Finite Element Analysis) is developed for large-scale structural analysis on massively parallel computers with distributed-memory. MPFEA is designed for parallel generation and assembly of the global finite element stiffness matrices as well as parallel solution of the simultaneous linear equations, since these are often the major time-consuming parts of a finite element analysis. Block-skyline storage scheme along with vector-unrolling techniques are used to enhance the vector performance. Communications among processors are carried out concurrently with arithmetic operations to reduce the total execution time. Numerical results on the Intel iPSC/860 computers (such as the Intel Gamma with 128 processors and the Intel Touchstone Delta with 512 processors) are presented, including an aircraft structure and some very large truss structures, to demonstrate the efficiency and accuracy of MPFEA.

Qin, Jiangning↗
NASA NTRS2004

SCA Waveform Development for Space Telemetry

The NASA Glenn Research Center is investigating and developing suitable reconfigurable radio architectures for future NASA missions. This effort is examining software-based open-architectures for space based transceivers, as well as common hardware platform architectures. The Joint Tactical Radio System's (JTRS) Software Communications Architecture (SCA) is a candidate for the software approach, but may need modifications or adaptations for use in space. An in-house SCA compliant waveform development focuses on increasing understanding of software defined radio architectures and more specifically the JTRS SCA. Space requirements put a premium on size, mass, and power. This waveform development effort is key to evaluating tradeoffs with the SCA for space applications. Existing NASA telemetry links, as well as Space Exploration Initiative scenarios, are the basis for defining the waveform requirements. Modeling and simulations are being developed to determine signal processing requirements associated with a waveform and a mission-specific computational burden. Implementation of the waveform on a laboratory software defined radio platform is proceeding in an iterative fashion. Parallel top-down and bottom-up design approaches are employed.

Mortensen, Dale J.↗
DOE OSTI2019

Software Defined Networking for HPC Interconnects and its Extension across Domains (Final Technical Report for DE-SC0016039)

This project seeks to incorporate OpenFlow-style Software Defined Networking capability into existing High Performance Computing (HPC) interconnect technology, InfiniBand, and to extend such capability beyond one domain. We develop SDN-enhanced InfiniBand that supports OpenFlow functionality for HPC interconnects, investigate the required techniques and the potential benefits for applying SDN on different types of HPC interconnects, and develop software to control the network and expose SDN capability to external networks through the OpenFlow interface. We have also developed techniques to evaluate communication characteristics of parallel applications, which determines the workload on interconnects, investigated newly proposed Interconnection network technologies including new network topologies and routing schemes, and designed novel interconnect routing and modeling techniques. Major activities and findings are summarized as follows.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Computation of Earth Science Products on Spaceborne Platforms

Spaceborne sensors like NASA's Hyperion hyperspectral imager generate huge data volumes, and several near-term trends indicate that data volumes will only increase. Next-generation hyperspectral missions, such as NASA's Hyperspectral Infrared Imager (HyspIRI), will operate at higher duty cycles and higher data rates, and their users will expect products to be generated from the data in near real time [1]. Barring a sudden advance in satellite downlink capacity, these trends point to a need to process data and generate products onboard the spacecraft. Rather than downlink an entire hyperspectral image cube, onboard processing enables satellites to downlink partial or completed scientific data products, which are often one to two orders of magnitude smaller than the original image. In addition, a satellite with onboard data processing resources and direct broadcast transmission equipment could send data products directly to first responders, research scientists or other users on the ground. Next-generation space-capable data processors will have a combination of reconfigurable gate arrays, digital signal processors and general-purpose CPUs. Correctly programmed and configured, these resources are sufficient to run sophisticated data analysis programs, including hyperspectral image processing algorithms that commonly run on desktop computers [2]. This paper describes how we implemented one such program, the HSEG hierarchical image segmentation algorithm, software commonly used on desktop and parallel processors, on a hardware platform designed to mimic a next-generation space-capable data processor [3]. We also describe our approach to porting the algorithm to and optimizing it for the new platform, and determine the expected performance gains enabled by our design. This extended abstract will describe the HSEG algorithm and hardware platform in greater detail, provide an analysis of the key function within the algorithm that required hardware acceleration, and describe our implementation of that function in hardware.

Fisher, Kevin↗
DOE OSTI2020

Scalability of high-performance PDE solvers

Performance tests and analyses are critical to effective high-performance computing software development and are central components in the design and implementation of computational algorithms for achieving faster simulations on existing and future computing architectures for large-scale application problems. In this article, we explore performance and space-time trade-offs for important compute-intensive kernels of large-scale numerical solvers for partial differential equations (PDEs) that govern a wide range of physical applications. We consider a sequence of PDE-motivated bake-off problems designed to establish best practices for efficient high-order simulations across a variety of codes and platforms. We measure peak performance (degrees of freedom per second) on a fixed number of nodes and identify effective code optimization strategies for each architecture. In addition to peak performance, we identify the minimum time to solution at 80% parallel efficiency. The performance analysis is based on spectral and p-type finite elements but is equally applicable to a broad spectrum of numerical PDE discretizations, including finite difference, finite volume, and h-type finite elements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

TChem-atm v1.0

SAND2024-11300O TChem-atm is a software library that was developed to solve complex kinetic models for atmospheric chemistry applications. TChem-atm interface employs a hierarchical parallelism design to exploit the massive parallelism available from modern computing platforms. It also supports gas atmospheric chemistry applications, e.g., the energy exascale earth system model. TChem can be used as a box model or coupled with a climate model to compute the time evolution of gas tracer species. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Safta, Cosmin↗