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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

Heterogeneous Distributed Computing for Computational Aerosciences

The research supported under this award focuses on heterogeneous distributed computing for high-performance applications, with particular emphasis on computational aerosciences. The overall goal of this project was to and investigate issues in, and develop solutions to, efficient execution of computational aeroscience codes in heterogeneous concurrent computing environments. In particular, we worked in the context of the PVM[1] system and, subsequent to detailed conversion efforts and performance benchmarking, devising novel techniques to increase the efficacy of heterogeneous networked environments for computational aerosciences. Our work has been based upon the NAS Parallel Benchmark suite, but has also recently expanded in scope to include the NAS I/O benchmarks as specified in the NHT-1 document. In this report we summarize our research accomplishments under the auspices of the grant.

Sunderam, Vaidy S.↗

A Computational Fluid Dynamics Algorithm on a Massively Parallel Computer

The discipline of computational fluid dynamics is demanding ever-increasing computational power to deal with complex fluid flow problems. We investigate the performance of a finite-difference computational fluid dynamics algorithm on a massively parallel computer, the Connection Machine. Of special interest is an implicit time-stepping algorithm; to obtain maximum performance from the Connection Machine, it is necessary to use a nonstandard algorithm to solve the linear systems that arise in the implicit algorithm. We find that the Connection Machine ran achieve very high computation rates on both explicit and implicit algorithms. The performance of the Connection Machine puts it in the same class as today's most powerful conventional supercomputers.

Jespersen, Dennis C.↗

Welcome to the NASA High Performance Computing and Communications Computational Aerosciences (CAS) Workshop 2000

The purpose of the CAS workshop is to bring together NASA's scientists and engineers and their counterparts in industry, other government agencies, and academia working in the Computational Aerosciences and related fields. This workshop is part of the technology transfer plan of the NASA High Performance Computing and Communications (HPCC) Program. Specific objectives of the CAS workshop are to: (1) communicate the goals and objectives of HPCC and CAS, (2) promote and disseminate CAS technology within the appropriate technical communities, including NASA, industry, academia, and other government labs, (3) help promote synergy among CAS and other HPCC scientists, and (4) permit feedback from peer researchers on issues facing High Performance Computing in general and the CAS project in particular. This year we had a number of exciting presentations in the traditional aeronautics, aerospace sciences, and high-end computing areas and in the less familiar (to many of us affiliated with CAS) earth science, space science, and revolutionary computing areas. Presentations of more than 40 high quality papers were organized into ten sessions and presented over the three-day workshop. The proceedings are organized here for easy access: by author, title and topic.

Schulbach, Catherine H.↗

High Performance Distributed Computing in a Supercomputer Environment: Computational Services and Applications Issues

This tutorial proposes to be a practical guide for the uninitiated to the main topics and themes of high-performance computing (HPC), with particular emphasis to distributed computing. The intent is first to provide some guidance and directions in the rapidly increasing field of scientific computing using both massively parallel and traditional supercomputers. Because of their considerable potential computational power, loosely or tightly coupled clusters of workstations are increasingly considered as a third alternative to both the more conventional supercomputers based on a small number of powerful vector processors, as well as high massively parallel processors. Even though many research issues concerning the effective use of workstation clusters and their integration into a large scale production facility are still unresolved, such clusters are already used for production computing. In this tutorial we will utilize the unique experience made at the NAS facility at NASA Ames Research Center. Over the last five years at NAS massively parallel supercomputers such as the Connection Machines CM-2 and CM-5 from Thinking Machines Corporation and the iPSC/860 (Touchstone Gamma Machine) and Paragon Machines from Intel were used in a production supercomputer center alongside with traditional vector supercomputers such as the Cray Y-MP and C90.

Kramer, Williams T. C.↗

Aerodynamic Influence Coefficient Computations Using Euler/Navier-Stokes Equations on Parallel Computers

Modem design requirements for an aircraft push current technologies used in the design process to their limit or sometimes require more advanced technologies to meet the requirement. New design requirements always demand to improve the operational performance. Accurate prediction of aerodynamic coefficients is essential to improve the performance. For example, in the design of an advanced subsonic civil transport, since the fluid flow at transonic regime shows strong nonlinearities, high fidelity equations, such as the Euler or Navier-Stokes equations predict flow characteristics more accurately than the linear aerodynamics, which are widely used in the current design process However, high fidelity flow equations are computationally expensive and require an order of magnitude longer time to obtain aerodynamic coefficients required in the design. Parallel computing is one possibility to cut down the computational turn-around time in using high fidelity equations so that high fidelity equations would be incorporated into the design process. By doing so, high fidelity equations would be used in the routine design process. This work will demonstrate the feasibility of using high fidelity flow equations in a design process by computing aerodynamic influence coefficients of a wing-body-empennage configuration on a multiple-instruction, multiple-data parallel computer.

Byun, Chansup↗

Navier-Stokes Computations on Commodity Computers

In this paper we discuss and demonstrate the feasibility of solving high-fidelity, nonlinear computational fluid dynamics (CFD) problems of practical interest on commodity machines, namely Pentium Pro PC's. Such calculations have now become possible due to the progress in computational power and memory of the off-the-shelf commodity computers, along with the growth in bandwidth and communication speeds of networks. A widely used CFD code known as TLNS3D, which was developed originally on large shared memory computers was selected for this effort. This code has recently been ported to massively parallel processor (MPP) type machines, where natural partitioning along grid blocks is adopted in which one or more blocks are distributed to each of the available processors. In this paper, a similar approach is adapted to port this code to a cluster of Pentium Pro computers. The message passing among the processors is accomplished through the use of standard message passing interface (MPI) libraries. Scaling studies indicate fairly high level of parallelism on such clusters of commodity machines, thus making solutions to Navier-Stokes equations for practical problems more affordable.

Vatsa, Veer N.↗

Scalable High Performance Computing: Direct and Large-Eddy Turbulent Flow Simulations Using Massively Parallel Computers

This final report contains reports of research related to the tasks "Scalable High Performance Computing: Direct and Lark-Eddy Turbulent FLow Simulations Using Massively Parallel Computers" and "Devleop High-Performance Time-Domain Computational Electromagnetics Capability for RCS Prediction, Wave Propagation in Dispersive Media, and Dual-Use Applications. The discussion of Scalable High Performance Computing reports on three objectives: validate, access scalability, and apply two parallel flow solvers for three-dimensional Navier-Stokes flows; develop and validate a high-order parallel solver for Direct Numerical Simulations (DNS) and Large Eddy Simulation (LES) problems; and Investigate and develop a high-order Reynolds averaged Navier-Stokes turbulence model. The discussion of High-Performance Time-Domain Computational Electromagnetics reports on five objectives: enhancement of an electromagnetics code (CHARGE) to be able to effectively model antenna problems; utilize lessons learned in high-order/spectral solution of swirling 3D jets to apply to solving electromagnetics project; transition a high-order fluids code, FDL3DI, to be able to solve Maxwell's Equations using compact-differencing; develop and demonstrate improved radiation absorbing boundary conditions for high-order CEM; and extend high-order CEM solver to address variable material properties. The report also contains a review of work done by the systems engineer.

Morgan, Philip E.↗

Performing optimized collective operations in an irregular subcommunicator of compute nodes in a parallel computer

In a parallel computer, performing optimized collective operations in an irregular subcommunicator of compute nodes may be carried out by: identifying, within the irregular subcommunicator, regular neighborhoods of compute nodes; selecting, for each neighborhood from the compute nodes of the neighborhood, a local root node; assigning each local root node to a node of a neighborhood-wide tree topology; mapping, for each neighborhood, the compute nodes of the neighborhood to a local tree topology having, at its root, the local root node of the neighborhood; and performing a one way, rooted collective operation within the subcommunicator including: performing, in one phase, the collective operation within each neighborhood; and performing, in another phase, the collective operation amongst the local root nodes.

Davis, Kristan D.↗

Performing optimized collective operations in a irregular subcommunicator of compute nodes in a parallel computer

In a parallel computer, performing optimized collective operations in an irregular subcommunicator of compute nodes may be carried out by: identifying, within the irregular subcommunicator, regular neighborhoods of compute nodes; selecting, for each neighborhood from the compute nodes of the neighborhood, a local root node; assigning each local root node to a node of a neighborhood-wide tree topology; mapping, for each neighborhood, the compute nodes of the neighborhood to a local tree topology having, at its root, the local root node of the neighborhood; and performing a one way, rooted collective operation within the subcommunicator including: performing, in one phase, the collective operation within each neighborhood; and performing, in another phase, the collective operation amongst the local root nodes.

Davis, Kristan Suzanne D.↗

Demonstrating GPU code portability and scalability for radiative heat transfer computations

High performance computing frameworks utilizing CPUs, Nvidia GPUs, and/or Intel Xeon Phis necessitate portable and scalable solutions for application developers. Nvidia GPUs in particular present numerous portability challenges with a different programming model, additional memory hierarchies, and partitioned execution units among streaming multiprocessors. This work presents modifications to the Uintah asynchronous many-task runtime and the Kokkos portability library to enable one single codebase for complex multiphysics applications to run across different architectures. Scalability and performance results are shown on multiple architectures for a globally coupled radiation heat transfer simulation, ranging from a single node to 16,384 Titan compute nodes.

Computer Science↗

Fast inversion, preconditioned quantum linear system solvers, fast Green's-function computation, and fast evaluation of matrix functions

Preconditioning is the most widely used and effective way for treating ill-conditioned linear systems in the context of classical iterative linear system solvers. We introduce a quantum primitive called fast inversion, which can be used as a preconditioner for solving quantum linear systems. The key idea of fast inversion is to directly block encode a matrix inverse through a quantum circuit implementing the inversion of eigenvalues via classical arithmetics. We demonstrate the application of preconditioned linear system solvers for computing single-particle Green's functions of quantum many-body systems, which are widely used in quantum physics, chemistry, and materials science. We analyze the complexities in three scenarios: the Hubbard model, the quantum many-body Hamiltonian in the plane-wave-dual basis, and the Schwinger model. We also provide a method for performing Green's function calculation in second quantization within a fixed-particle manifold and note that this approach may be valuable for simulation more broadly. Aside from solving linear systems, fast inversion also allows us to develop fast algorithms for computing matrix functions, such as the efficient preparation of Gibbs states. Furthermore, we introduce two efficient approaches for such a task, based on the contour-integral formulation and the inverse transform, respectively.

97 MATHEMATICS AND COMPUTING↗

Frontiers in Scientific Workflows: Pervasive Integration With High-Performance Computing

Herein we address the increasing complexity of scientific workflows in the context of high-performance computing (HPC) and their associated need for robust, adaptable, and flexible computational support systems. We explore five key trends as well as future challenges and opportunities for scientific workflows and HPC technologies.

97 MATHEMATICS AND COMPUTING↗

Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise

Abstract Quantum computing has the potential to revolutionize computing, but its significant sensitivity to noise requires sophisticated error correction and mitigation. Traditionally, noise on the quantum device is characterized directly through qubit and gate measurements, but this approach has drawbacks in that it does not adequately capture the effect of noise on realistic multi-qubit applications. In this paper, we simulate the relaxation of stationary quantum states on a quantum computer to obtain a unique spectroscopic fingerprint of the computer’s noise. In contrast to traditional approaches, we obtain the frequency profile of the noise as it is experienced by the simulated stationary quantum states. Data from multiple superconducting-qubit IBM processors show that noise generates a bath within the simulation that exhibits both colored noise and non-Markovian behavior. Our results provide a direction for noise mitigation but also suggest how to use noise for quantum simulations of open systems.

97 MATHEMATICS AND COMPUTING↗

Application-level benchmarking of quantum computers using nonlocal game strategies

In a nonlocal game, two noncommunicating players cooperate to convince a referee that they possess a strategy that does not violate the rules of the game. Quantum strategies allow players to optimally win some games by performing joint measurements on a shared entangled state, but computing these strategies can be challenging. We present a variational quantum algorithm to compute quantum strategies for nonlocal games by encoding the rules of a nonlocal game into a Hamiltonian. We show how this algorithm can generate a short-depth optimal quantum strategy for a graph coloring game with a quantum advantage. This quantum strategy is then evaluated on fourteen different quantum hardware platforms to demonstrate its utility as a benchmark. Finally, we discuss potential sources of errors that can explain the observed decreased performance of the executed task and derive an expression for the number of samples required to accurately estimate the win rate in the presence of noise.

nonlocal games↗

Quantum-classical computation of Schwinger model dynamics using quantum computers

We present a quantum-classical algorithm to study the dynamics of the two-spatial-site Schwinger model on IBM's quantum computers. Using rotational symmetries, total charge, and parity, the number of qubits needed to perform computation is reduced by a factor of ~5, removing exponentially large unphysical sectors from the Hilbert space. Our work opens an avenue for exploration of other lattice quantum field theories, such as quantum chromodynamics, where classical computation is used to find symmetry sectors in which the quantum computer evaluates the dynamics of quantum fluctuations.

97 MATHEMATICS AND COMPUTING↗

Online data analysis and reduction: An important co-design motif for extreme-scale computers

A growing disparity between supercomputer computation speeds and I/O rates means that it is rapidly becoming infeasible to analyze supercomputer application output only after that output has been written to a file system. Instead, data-generating applications must run concurrently with data reduction and/or analysis operations, with which they exchange information via high-speed methods such as interprocess communications. The resulting parallel computing motif, online data analysis and reduction (ODAR), has important implications for both application and HPC systems design. Here we introduce the ODAR motif and its co-design concerns, describe a co-design process for identifying and addressing those concerns, present tools that assist in the co-design process, and present case studies to illustrate the use of the process and tools in practical settings.

Data Analysis↗

Future High Performance Computing Capabilities: Summary Report of the Advanced Scientific Computing Advisory Committee (ASCAC) Subcommittee

The ASCAC Subcommittee on Future High Performance Computing (HPC) Capabilities has reviewed opportunities and challenges related to the most promising technologies that are currently planned for the post-exascale (2020's) and post-Moore (2030's and beyond) timeframes. We briefly summarize in this report the key findings and recommendations from this review, from the perspective of planning and research directions that need to be given priority to prepare for the very significant challenges that await us in the post-Moore computing era. An overarching concern that emerged from the subcommittee's deliberations is that DOE has lost considerable momentum in funding and sustaining a research pipeline in the applied math and computer science areas that should have been the "seed corn" for preparing for these future challenges, and it is therefore critical to correct this gap as soon as possible. While the subcommittee understands the paramount importance of DOE's commitment to deliver exascale capabilities, we believe that it is essential for DOE ASCR to fund research and development that looks beyond the Exascale Computing Project (ECP) horizon so as to ensure our nation's continued leadership in HPC and we were glad to learn about the ASCAC exascale transition subcommittee in this regard.

97 MATHEMATICS AND COMPUTING↗

High Performance Computing Facility Operational Assessment 2022: Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure. As a US Department of Energy (DOE) Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world. In calendar year (CY) 2022, the OLCF supported 1,681 users and 570 projects and exceeded all targets for user satisfaction. The facility received an average satisfaction score of 4.6 out of 5 on the annual user survey, and 96% of respondents reported a high satisfaction rate with the OLCF overall. Of the 3,212 user tickets submitted in CY 2022, OLCF staff resolved 97% within 3 business days. The facility also introduced several new services for users this year, including weekly virtual office hours with subject matter experts from ORNL and vendor partners; new views in MyOLCF that allow users to analyze allocation and compute usage for a project; the ability to build and run containers on Summit; and improved data visualization support and training resources.

97 MATHEMATICS AND COMPUTING↗