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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
NASA NTRS1978

Microprocessor arrays for large scale computation

An important new direction in computer architecture centers around the achievement of very high computational power (capacity, speed and reliability) through the use of tens of thousands of microprocessors, micromemories, and switch modules, all interconnected into a large homogeneous network using one of certain advanced connection schemes. When surrounded and supported by conventional computers and memories, such a machine holds potential for out-performing both conventional and array-based computers of the mid-1980's by one to two orders of magnitude, at least for particular classes of applications amenable to high parallelism, such as aerodynamic simulation. The homogeneous feature of this machine concept also implies size extendability, fault tolerance, and improved flexibility to handle a variety of algorithms of interest. Current work is addressing the design of technologically efficient interconnection configurations and the development of new computation algorithms that are especially efficient for highly parallel computation.

Kautz, W. H.↗
DOE OSTI2018

Exploiting Internal Parallelism for Address Translation in Solid-State Drives

Solid-state Drives (SSDs) have changed the landscape of storage systems and present a promising storage solution for data-intensive applications due to their low latency, high bandwidth, and low power consumption compared to traditional hard disk drives. SSDs achieve these desirable characteristics using internal parallelism—parallel access to multiple internal flash memory chips—and a Flash Translation Layer (FTL) that determines where data are stored on those chips so that they do not wear out prematurely. However, current state-of-the-art cache-based FTLs like the Demand-based Flash Translation Layer (DFTL) do not allow IO schedulers to take full advantage of internal parallelism, because they impose a tight coupling between the logical-to-physical address translation and the data access. In this study to address this limitation, we introduce a new FTL design called Parallel-DFTL that works with the DFTL to decouple address translation operations from data accesses. Parallel-DFTL separates address translation and data access operations into different queues, allowing the SSD to use concurrent flash accesses for both types of operations. We also present a Parallel-LRU cache replacement algorithm to improve the concurrency of address translation operations. To compare Parallel-DFTL against existing FTL approaches, we present a Parallel-DFTL performance model and compare its predictions against those for DFTL and an ideal page-mapping approach. We also implemented the Parallel-DFTL approach in an SSD simulator using real device parameters, and used trace-driven simulation to evaluate Parallel-DFTL’s efficacy. Our evaluation results show that Parallel-DFTL improved the overall performance by up to 32% for the real IO workloads we tested, and by up to two orders of magnitude with synthetic test workloads. Finally, we also found that Parallel-DFTL is able to achieve reasonable performance with a very small cache size and that it provides the best benefit for those workloads with large request size or with high write ratio.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry

The core part of the program system COLUMBUS allows highly efficient calculations using variational multireference (MR) methods in the framework of configuration interaction with single and double excitations (MR-CISD) and averaged quadratic coupled-cluster calculations (MR-AQCC), based on uncontracted sets of configurations and the graphical unitary group approach (GUGA). The availability of analytic MR-CISD and MR-AQCC energy gradients and analytic nonadiabatic couplings for MR-CISD enables exciting applications including, e.g., investigations of π-conjugated biradicaloid compounds, calculations of multitudes of excited states, development of diabatization procedures, and furnishing the electronic structure information for on-the-fly surface nonadiabatic dynamics. With fully variational uncontracted spin-orbit MRCI, COLUMBUS provides a unique possibility of performing high-level calculations on compounds containing heavy atoms up to lanthanides and actinides. Crucial for carrying out all of these calculations effectively is the availability of an efficient parallel code for the CI step. Configuration spaces of several billion in size now can be treated quite routinely on standard parallel computer clusters. Emerging developments in COLUMBUS, including the all configuration mean energy multiconfiguration self-consistent field method and the graphically contracted function method, promise to allow practically unlimited configuration space dimensions. Spin density based on the GUGA approach, analytic spin-orbit energy gradients, possibilities for local electron correlation MR calculations, development of general interfaces for nonadiabatic dynamics, and MRCI linear vibronic coupling models conclude this overview.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

VLSI neuroprocessors

Electronic and optoelectronic hardware implementations of highly parallel computing architectures address several ill-defined and/or computation-intensive problems not easily solved by conventional computing techniques. The concurrent processing architectures developed are derived from a variety of advanced computing paradigms including neural network models, fuzzy logic, and cellular automata. Hardware implementation technologies range from state-of-the-art digital/analog custom-VLSI to advanced optoelectronic devices such as computer-generated holograms and e-beam fabricated Dammann gratings. JPL's concurrent processing devices group has developed a broad technology base in hardware implementable parallel algorithms, low-power and high-speed VLSI designs and building block VLSI chips, leading to application-specific high-performance embeddable processors. Application areas include high throughput map-data classification using feedforward neural networks, terrain based tactical movement planner using cellular automata, resource optimization (weapon-target assignment) using a multidimensional feedback network with lateral inhibition, and classification of rocks using an inner-product scheme on thematic mapper data. In addition to addressing specific functional needs of DOD and NASA, the JPL-developed concurrent processing device technology is also being customized for a variety of commercial applications (in collaboration with industrial partners), and is being transferred to U.S. industries. This viewgraph p resentation focuses on two application-specific processors which solve the computation intensive tasks of resource allocation (weapon-target assignment) and terrain based tactical movement planning using two extremely different topologies. Resource allocation is implemented as an asynchronous analog competitive assignment architecture inspired by the Hopfield network. Hardware realization leads to a two to four order of magnitude speed-up over conventional techniques and enables multiple assignments, (many to many), not achievable with standard statistical approaches. Tactical movement planning (finding the best path from A to B) is accomplished with a digital two-dimensional concurrent processor array. By exploiting the natural parallel decomposition of the problem in silicon, a four order of magnitude speed-up over optimized software approaches has been demonstrated.

Kemeny, Sabrina E.↗
DOE OSTI2022

Frontier (HPE Cray EX) Exascale Supercomputer at the Oak Ridge Leadership Computing Facility

Frontier is the HPE Cray EX exascale supercomputer deployed and operated by the Oak Ridge Leadership Computing Facility (OLCF) at Oak Ridge National Laboratory (ORNL). Frontier is designed for large-scale modeling, simulation, and AI workloads and is built from HPE Cray EX system architecture with AMD CPUs and AMD Instinct GPU accelerators connected by the HPE Slingshot interconnect. System composition (representative production configuration): Frontier is composed of approximately 74 cabinets with 128 compute nodes per cabinet (~9,400 compute nodes total). Each compute node contains one 64-core AMD EPYC CPU and four AMD Instinct MI250X GPUs. Nodes are connected using HPE Slingshot (Slingshot-200 class) networking with multiple NIC ports per node providing high injection bandwidth. Frontier is connected to the Orion parallel file system (multi-tier Lustre) providing a large, center-wide high-performance storage namespace. Operational context: Frontier entered public prominence as the first system to reach No. 1 on the TOP500 list in May 2022 (HPL benchmark), establishing the first widely recognized exascale-era performance milestone. The system supports DOE Office of Science mission workloads and enables leadership-class computational science and AI for open science users.

AMD EPYC↗
DOE OSTI2020

Toward Exascale: Overview of Large Eddy Simulations and Direct Numerical Simulations of Nuclear Reactor Flows with the Spectral Element Method in Nek5000

At the beginning of the last decade, Petascale supercomputers (i.e., computers capable of more than 1 petaFLOP) emerged. Now, at the dawn of exascale supercomputing, we provide a review of recent landmark simulations of portions of reactor components with turbulence-resolving techniques that this computational power has made possible. In fact, these simulations have provided invaluable insight into flow dynamics, which is difficult or often impossible to obtain with experiments alone. We focus on simulations performed with the spectral element method, as this method has emerged as a powerful tool to deliver massively parallel calculations at high fidelity by using large eddy simulation or direct numerical simulation. We also limit this paper to constant-property incompressible flow of a Newtonian fluid in the absence of other body or external forces, although the method is by no means limited to this class of flows. We briefly review the fundamentals of the method and the reasons it is compelling for the simulation of nuclear engineering flows. We review in detail a series of Petascale simulations, including the simulations of helical coil steam generators, fuel assemblies, and pebble beds. Even with Petascale computing, however, limitations for nuclear modeling and simulation tools remain. In particular, the size and scope of turbulence-resolving simulations are still limited by computing power and resolution requirements, which scale with the Reynolds number. In the final part of this paper, we discuss the future of the field, including recent advancements in emerging architectures such as GPUbased supercomputers, which are expected to power the next generation of high-performance computers.

computational fluid dynamics↗
DOE OSTI2019

Ab Initio Computation of Rotationally-Averaged Pump–Probe X-ray and Electron Diffraction Signals

We develop a new algorithm for the computation of the rotationally averaged elastic molecular diffraction signal for the cases of perpendicular or parallel pump–probe geometries. The algorithm first collocates the charge density from an arbitrary ab initio wave function onto a Becke quadrature grid [A. Becke, J. Chem. Phys. 1988, 88, 2457], providing a high-fidelity multiresolution representation of the charge density. A double sum is then performed over the Becke grid points, and the interaction between points computed using the scattering kernels of Williamson and Zewail [J. C. Williamson and A. H. Zewail, J. Phys. Chem. 1994, 98, 2766]. These kernels analytically average over the molecular orientations with the cos 2 γ selection factor appropriate for one-photon dipole absorption in a perpendicular pump–probe geometry. We demonstrate that the method is converged with small grids containing <500 points/atom. We implement the algorithm on a GPU for increased efficiency and emonstrate the algorithm for molecules with up to a few dozen atoms. We explore the accuracy of the independent atom model (IAM) by comparison with our new and more accurate method. We also investigate the possibility of detecting signatures of electronic transitions in polyatomic pump–probe diffraction experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

State-of-the-art Space Telescope Digicon performance data

The Digicon has been chosen as the detector for the High Resolution Spectrograph and the Faint Object Spectrograph of the Space Telescope. Both tubes are 512 channel, parallel-output devices and feature CsTe photocathodes on MgF2 faceplates. Using a computer-assisted test facility, the tubes have been characterized with respect to diode array performance, photocathode response (1100-9000 A), and imaging capability. Data are presented on diode dark current and capacitance distributions, pulse height resolution, photocathode quantum efficiency, uniformity and blemishes, dark count rate, distortion, resolution, and crosstalk.

Ginaven, R. O.↗
DOE OSTI2019

PRIMA-X - Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing

The PRIMA-X (Performance Retargeting of Instrumentation, Measurement, and Analysis Technologies for Exascale Computing) project is the successor of the DOE PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing) project, which addressed the challenge of creating a core measurement infrastructure that would serve as a common platform for both integrating leading parallel performance systems (notably TAU and Scalasca) and developing next-generation scalable performance tools. The PRIMA-X project shifts the focus away from refactorization of robust performance tools towards a re-targeting of the parallel performance measurement and analysis architecture for extreme scales. The massive concurrency, asynchronous execution dynamics, hardware heterogeneity, and multi-objective prerequisites (performance, power, resilience) that identify exascale systems introduce fundamental constraints on the ability to carry forward existing performance methodologies. In particular, there must be a deemphasis of per-thread observation techniques to significantly reduce the otherwise unsustainable flood of redundant performance data. Instead, it will be necessary to assimilate multi-level resource observations into macroscopic performance views, from which resilient performance metrics can be attributed to the computational features of the application. This requires a scalable framework for node-level and system-wide monitoring and runtime analyses of dynamic performance information. Also, the interest in optimizing parallelism parameters with respect to performance and energy drives the integration of tool capabilities in the exascale environment further. Initially, PRIMA-X was a collaborative project between the University of Oregon (lead institution) and the German Research School for Simulation Sciences (GRS). Because Prof. Wolf, the PI at GRS, accepted a position as full professor at Technische Universitaet Darmstadt (TU Darmstadt) starting February 1st, 2015, the work of GRS was continued at TU Darmstadt. This report covers the work at TU Darmstadt after the transition. The first main accomplishment of TU Darmstadt is the development of different techniques to aggregate performance data on the level of threads. TU Darmstadt evaluated different schemes designed at GRS during the first phase of this project and integrated them into Score-P, a widely used performance measurement framework for HPC applications. The second main accomplishment is a substantial increase of Score-P’s scalability, achieved by improving its internal representation of the underlying system. Third, we extended our performance-modeling tool Extra-P to automatically create models with more than one input parameter (e.g., process count and input size), which was previously impossible. These models allow the performance behavior of an application to be extrapolated to larger machines. Specific applications of the new multi-parameter capability realized in this project include modeling the isoefficiency function of task-based applications and a novel co-design methodology. Further extensions of Extra-P comprise online modeling functionality, automatic refinement of the model search space, and segmented performance modeling. Further contributions include new locality metrics for both shared- and distributed-memory applications, a new way of measuring the impact of inter-application inference on the execution time of an application, and finally an automatic method that selects appropriate OpenMP constructs for the parallelization of sequential code and classifies the affected variables based on their sharing semantics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Detecting Data-Races in High-Performance Computing

High-performance computing is susceptible to data-race bugs. Data races occur when sequences of computed events do not happen in the intended order, a significant barrier to the integrity of parallel programs using shared-memory architectures. Many approaches to data-race detection are based on traditional static-analysis techniques that typically execute on a program’s source code or control-flow graph (the graphical representation of all possible orders of events in the execution of a program). Similar to classical data-flow analyses, such tools can produce false alarms that report spurious race conditions on error free programs. We have developed a software verification technique that requires as input only a program’s source code and can automatically detect a data-race bug which definitely exists, determine that a program is definitely data-race free, or report that it cannot determine either of the two cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Viskores: Integrating Parallel Scientific Visualization Research into Applications

Viskores is a scientific visualization library that is the primary deployment of such algorithms to the parallel accelerated processors of modern DOE supercomputers. In this paper, we review the capabilities provided by Viskores and how these capabilities are leveraged by other software in the high-performance computing ecosystem. We discuss the Viskores data representation and pay particular attention to array management. Through this array management we describe how data is adapted between Viskores and other software along with strategies for converting dynamic, polymorphic objects to static representations better suited to GPU processing. We conclude with several examples of Viskores integrating with high-performance software that is used in production today.

Moreland, Ken [ORNL] (ORCID:0000000270513288)↗
NASA NTRS1983

Massively parallel processor computer

An apparatus for processing multidimensional data with strong spatial characteristics, such as raw image data, characterized by a large number of parallel data streams in an ordered array is described. It comprises a large number (e.g., 16,384 in a 128 x 128 array) of parallel processing elements operating simultaneously and independently on single bit slices of a corresponding array of incoming data streams under control of a single set of instructions. Each of the processing elements comprises a bidirectional data bus in communication with a register for storing single bit slices together with a random access memory unit and associated circuitry, including a binary counter/shift register device, for performing logical and arithmetical computations on the bit slices, and an I/O unit for interfacing the bidirectional data bus with the data stream source. The massively parallel processor architecture enables very high speed processing of large amounts of ordered parallel data, including spatial translation by shifting or sliding of bits vertically or horizontally to neighboring processing elements.

Fung, L. W.↗
DOE OSTI2018

Enforcing End-to-end I/O Policies for Scientific Workflows using Software-Defined Storage Resource Enclaves

Data-intensive knowledge discovery requires scientific applications to run concurrently with analytics and visualization codes executing in situ for timely output inspection and knowledge extraction. Consequently, I/O pipelines of scientific workflows can be long and complex because they comprise many stages of analytics across different layers of the I/O stack of high-performance computing systems. Performance limitations at any I/O layer or stage can cause an I/O bottleneck resulting in greater than expected end-to-end I/O latency. In this paper, we present the design and implementation of a novel data management infrastructure called Software-Defined Storage Resource Enclaves (SIREN) at system level to enforce end-to-end policies that dictate an I/O pipeline's performance. SIREN provides an I/O performance interface for users to specify the desired storage resources in the context of in-situ analytics. If suboptimal performance of analytics is caused by an I/O bottleneck when data are transferred between simulations and analytics, schedulers in different layers of the I/O stack automatically provide the guaranteed lower bounds on I/O throughput. Lastly, our experimental results demonstrate that SIREN provides performance isolation among scientific workflows sharing multiple storage servers across two I/O layers (burst buffer and parallel file systems) while maintaining high system scalability and resource utilization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Counting Kmers for Biological Sequences at Large Scale

Counting the abundance of all the distinct kmers in biological sequence data is a fundamental step in bioinformatics. These applications include de novo genome assembly, error correction, etc. With the development of sequencing technology, the sequence data in a single project can reach Petabyte-scale or Terabyte-scale nucleotides. Counting demand for the abundance of these sequencing data is beyond the memory and computing capacity of single computing node, and how to process it efficiently is a challenge on a high-performance computing cluster. As such, we propose SWAPCounter, a highly scalable distributed approach for kmer counting. This approach is embedded with an MPI streaming I/O module for loading huge data set at high speed, and a counting bloom filter module for both memory and communication efficiency. By overlapping all the counting steps, SWAPCounter achieves high scalability with high parallel efficiency. In this work, the experimental results indicate that SWAPCounter has competitive performance with two other tools on shared memory environment, KMC 2 , and MSPKmerCounter. Moreover, SWAPCounter also shows the highest scalability under strong scaling experiments. In our experiment on Cetus supercomputer, SWAPCounter scales to 32,768 cores with 79% parallel efficiency (using 2048 cores as baseline) when processing 4 TB sequence data of 1000 Genomes. The source code of SWAPCounter is publicly available at https://github.com/mengjintao/SWAPCounter.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Compressed basis GMRES on high-performance graphics processing units

Krylov methods provide a fast and highly parallel numerical tool for the iterative solution of many large-scale sparse linear systems. To a large extent, the performance of practical realizations of these methods is constrained by the communication bandwidth in current computer architectures, motivating the investigation of sophisticated techniques to avoid, reduce, and/or hide the message-passing costs (in distributed platforms) and the memory accesses (in all architectures). This article leverages Ginkgo’s memory accessor in order to integrate a communication-reduction strategy into the (Krylov) GMRES solver that decouples the storage format (i.e., the data representation in memory) of the orthogonal basis from the arithmetic precision that is employed during the operations with that basis. Given that the execution time of the GMRES solver is largely determined by the memory accesses, the cost of the datatype transforms can be mostly hidden, resulting in the acceleration of the iterative step via a decrease in the volume of bits being retrieved from memory. Together with the special properties of the orthonormal basis (whose elements are all bounded by 1), this paves the road toward the aggressive customization of the storage format, which includes some floating-point as well as fixed-point formats with mild impact on the convergence of the iterative process. We develop a high-performance implementation of the “compressed basis GMRES” solver in the Ginkgo sparse linear algebra library using a large set of test problems from the SuiteSparse Matrix Collection. We demonstrate robustness and performance advantages on a modern NVIDIA V100 graphics processing unit (GPU) of up to 50% over the standard GMRES solver that stores all data in IEEE double-precision.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Visual HPC Workflows for the Analysis of System Dynamics Models

Visual analytics supported by high performance computing (HPC) accelerates and enhances the discovery, exploration, and analysis of causal patterns in complex system dynamics (SD) models. We present a suite of visualization-assisted ensemble-based techniques for hypothesis generation and testing, and for sensitivity analysis. By employing HPC to provide parallel, on-demand simulation of SD models, one can “steer” an ensemble of simulated scenarios in real time as one first formulates and then informally tests those hypotheses: this provides rapid feedback for analysts to refine their understanding of the causal relationships emergent from a model. Such understandings can be followed and augmented by rigorous application of statistical methods, namely global variance-based sensitivity analysis, Monte-Carlo filtering, adaptive regional sensitivity analysis, and self-organized maps: here timely computation relies on HPC, while effective presentation emphasizes high-dimensional multivariate data visualization. Immersive visualization in virtual 3D environments provides an excellent adjunct to the traditional 2D graphics typically used for SD models, as it generates an embodied understanding of model behavior and facilitates an active, collaborative critique of model structure and output. Finally, we summarize prospects for HPC-enabled visual analytics applied to SD modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1992

Internal Shock Interactions in Propulsion/Airframe Integrated Three-Dimensional Sidewall Compression Scramjet Inlets

The advantages and design requirements of propulsion/airframe integration for high Mach number flight have led to extensive study of the three-dimensional sidewall compression scramjet inlet in recent years. Recent research publications have indicated testing over a broad range of Mach number (2 to 18) in a variety of test gases, such as air, helium, and tetrafluoromethane. Multiple experimental techniques have been employed to obtain detailed internal shock interaction data, performance data, and inlet starting limits. Computational fluid dynamics has been effectively used for preliminary parametric studies as well as in parallel with experiments to aid in the explanation of unusual or unexpected flow phenomena. Inlets of this genre afford a relatively simple, generic geometry while producing a highly complex, three-dimensional flow field dominated by shock/shock and shock/boundary layer interactions. While the importance of the viscous effects in high speed inlet interactions is recognized, the present work addresses in a parametric fashion the inviscid effects of leading edge sweep, sidewall compression, and inflow Mach number on the internal shock structure in terms of inlet compression and mass capture. In the process, the source of the of the Mach number invariance with leading edge sweep for a constant sidewall compression class of inlet is identified, and a previously undocumented spillage phenomenon in a constant effective wedge angle class of inlets is discussed.

Holland, Scott D.↗
NASA NTRS1987

EOS: A project to investigate the design and construction of real-time distributed Embedded Operating Systems

Project EOS is studying the problems of building adaptable real-time embedded operating systems for the scientific missions of NASA. Choices (A Class Hierarchical Open Interface for Custom Embedded Systems) is an operating system designed and built by Project EOS to address the following specific issues: the software architecture for adaptable embedded parallel operating systems, the achievement of high-performance and real-time operation, the simplification of interprocess communications, the isolation of operating system mechanisms from one another, and the separation of mechanisms from policy decisions. Choices is written in C++ and runs on a ten processor Encore Multimax. The system is intended for use in constructing specialized computer applications and research on advanced operating system features including fault tolerance and parallelism.

Campbell, R. H.↗