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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 559 records · Page 31

Sierra/SD – User's Manual – 5.22

Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high-fidelity, validated models used in modal, vibration, static and shock analysis of weapons systems. This document provides a user’s guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included. The appendices contain detailed examples, and instructions for running the software on parallel platforms.

97 MATHEMATICS AND COMPUTING↗

Sphynx

Sphynx is a software library for parallel graph partitioning and load balancing. It partitions a set of vertices in a graph such that the vertex parts are balanced, and the edge cut is approximately minimized. The primary use case is to partition a computational graph into smaller tasks that can be assigned to processors (cores) for efficient parallel computing. Sphynx is based on the Trilinos scientific computing toolkit so can run on both multi-CPU and multi-GPU systems. SAND2020-12183 M 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.

Boman, Erik↗

Surface grid generation for wing-fuselage bodies

In the application of finite-difference methods to obtain numerical solutions of viscous compressible fluid flow about wing-fuselage bodies, it is advantageous to transform the governing equations to an idealized boundary-fitted coordinate system. The advantages are reduced computational complexity and added accuracy in the application of boundary conditions. The solution process requires that a grid be superimposed on the physical solution domain which corresponds to a uniform grid on a rectangular computational domain (uniform rectangular parallel-epiped). Grid generation is the determination of a one to one relationship between grid points in the physical domain and grid points in the computational domain. A technique for computing wing-fuselage surface grids using the Harris geometry and software for smooth-surface representation is described. Grid spacing control concepts which govern the relationship between the wing-fuselage surface and the computational grid are also presented.

Smith, R. E.↗

Computational structural mechanics for engine structures

The computational structural mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures. It is structured to mainly supplement, complement, and whenever possible replace, costly experimental efforts which are unavoidable during engineering research and development programs. Specific objectives include: investigate unique advantages of parallel and multiprocesses for: reformulating/solving structural mechanics and formulating/solving multidisciplinary mechanics and develop integrated structural system computational simulators for: predicting structural performances, evaluating newly developed methods, and for identifying and prioritizing improved/missing methods needed. Herein the CSM program is summarized with emphasis on the Engine Structures Computational Simulator (ESCS). Typical results obtained using ESCS are described to illustrate its versatility.

Chamis, C. C.↗

Computational technology for flight vehicles; Proceedings of the Symposium on Computational Technology on Flight Vehicles, Washington, DC, Nov. 5-7, 1990

The present conference on computational methods for aeronautics applications discusses topics in the fields of parallel computing, multidisciplinary computational methods, grid generation, visualization methods for CFD, probabilistic modeling, numerical simulations and methodologies for different flow regimes, computational strategies and adaptive methods in CFD, and computational strategies and dynamics and control. Attention is given to the MACH system-software kernel, a multidisciplinary approach to aeroelastic analysis, interactive grid generation with control points, interactive flow visualization using stream surfaces, numerical simulations of dynamic/aerodynamic interactions, implicit mathods for the Navier-Stokes equations, and the automatic phase-space analysis of dynamical systems.

Noor, Ahmed K.↗

Switching An Image Processor Between Two Computers

Remote-control parallel switching circuit connects either of two computers (but not both simultaneously) to image processor. Includes two parallel switches actuated mechanically by solenoids. Each solenoid controlled by solid-state relay connected to remote-control line from associated computer. One or other solenoid energized to connect image processor to computer requesting access according to protocol implemented in software.

Bodis, Jim↗

Parallel rendering

This article provides a broad introduction to the subject of parallel rendering, encompassing both hardware and software systems. The focus is on the underlying concepts and the issues which arise in the design of parallel rendering algorithms and systems. We examine the different types of parallelism and how they can be applied in rendering applications. Concepts from parallel computing, such as data decomposition, task granularity, scalability, and load balancing, are considered in relation to the rendering problem. We also explore concepts from computer graphics, such as coherence and projection, which have a significant impact on the structure of parallel rendering algorithms. Our survey covers a number of practical considerations as well, including the choice of architectural platform, communication and memory requirements, and the problem of image assembly and display. We illustrate the discussion with numerous examples from the parallel rendering literature, representing most of the principal rendering methods currently used in computer graphics.

Crockett, Thomas W.↗

Design and Analysis of Turbomachinery for Space Applications

This presentation provides an overview of CORSAIR, a three dimensional computational fluid dynamics software code for the analysis of turbomachinery components available from NASA, and discusses its potential use in the design of these parts. Topics covered include: time-dependent equations of motion, grid topology, turbulence models, boundary conditions, parallel simulations and miscellaneous capabilities.

Dorney, D.↗

TINES - Time Integration, Newton and Eigen Solver v. 1.0

SAND2021-1505 O. TINES is an open source software providing math infrastructure for solving many stiff time ordinary differential equations (ODEs) and/or differential algebraic equations (DAEs) using a batch hierarchical parallelism. The code is written using a parallel programming model (i.e., Kokkos) to future-proof the next generation parallel computing platforms such as GPU accelerators. This code is developed to support Exascale Catalytic Chemistry (ECC) Project. The code provides fundamental math helpers that can aid other research projects. 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.

Kim, Kyungjoo↗

PHASM: A Toolkit for Creating AI Surrogate Models within Legacy Codebases

PHASM (“Parallel Hardware viA Surrogate Models”) is a software toolkit for creating AI-based surrogate models of scientific code. AI-based surrogate models are widely used for creating fast and inverse simulations. PHASM anticipates an additional future use case: adapting legacy code to modern hardware. While data centers are investing in heterogeneous hardware such as GPUs and FPGAs, many established scientific codebases remain unable to take advantage of the hardware’s higher parallelism without undergoing a costly rewrite. An alternative is to train a AI-based surrogate model to mimic computationally intensive functions in the code, and run the surrogate instead. PHASM formalizes a development lifecycle for such surrogate models, including discovering functions amenable to replacement with a surrogate model, predicting the resulting performance, identifying the function’s space of inputs and outputs, binding the model to the code, and managing model versions. A suite of software tools for facilitating these steps was written and validated against a set of model problems.

97 MATHEMATICS AND COMPUTING↗

Neural Network Molecular Dynamics at Scale

Neural network molecular dynamics (NNMD) simulations could revolutionize atomistic modeling of materials with quantum-mechanical accuracy at a fraction of computational cost. However, popular NNMD frameworks are generally implemented for a single computing node, and conventional energy-based NN models still suffer from large time-to-solution (T2S), prohibiting the application of NNMD to challenging materials simulations encompassing large spatiotemporal scales. Consequently, no leadership-scale NNMD simulation has thus far been reported. Here, we present a scalable parallel NNMD software (RXMD-NN) based on our scalable reactive molecular dynamics simulation engine named RXMD. RXMD-NN has achieved high scalability up to 786,432 IBM BlueGene/Q cores involving 1.7 billion atoms. Furthermore, we have achieved 4.6-fold reduction of T2S by using a novel network that directly predicts atomic forces from feature vectors. Reduced T2S has for the first time allowed the study of large-scale off-stoichiometry effect in a widely used phase change material, Ge 2 Se 2 Te 5 , thereby resolving its "firstsharp diffraction peak mystery".

fist sharp diffraction peak↗

Algorithm-Based Fault Tolerance for Numerical Subroutines

A software library implements a new methodology of detecting faults in numerical subroutines, thus enabling application programs that contain the subroutines to recover transparently from single-event upsets. The software library in question is fault-detecting middleware that is wrapped around the numericalsubroutines. Conventional serial versions (based on LAPACK and FFTW) and a parallel version (based on ScaLAPACK) exist. The source code of the application program that contains the numerical subroutines is not modified, and the middleware is transparent to the user. The methodology used is a type of algorithm- based fault tolerance (ABFT). In ABFT, a checksum is computed before a computation and compared with the checksum of the computational result; an error is declared if the difference between the checksums exceeds some threshold. Novel normalization methods are used in the checksum comparison to ensure correct fault detections independent of algorithm inputs. In tests of this software reported in the peer-reviewed literature, this library was shown to enable detection of 99.9 percent of significant faults while generating no false alarms.

Tumon, Michael↗

Determining Levels of Detail for Simulators of Parallel and Distributed Computing Systems via Automated Calibration

There are two sources of inaccuracy when simulating parallel and distributed computing systems: (i) a simulator implemented at an insufficient level of detail; and (ii) incorrectly calibrated simulation parameter values. Increasing the simulator’s level of detail can improve accuracy, but at the cost of higher space, time, and/or software complexity. Furthermore, evaluating the intrinsic accuracy of a simulator requires that its parameters be well-calibrated. Making decisions regarding the level of detail is thus challenging. We propose a methodology for instantiating the simulation calibration process and a framework for automating this process, which makes it possible to pick appropriate levels of detail for any simulator. We demonstrate the usefulness of our approach via two case studies for two different domains.

McDonald, Jessie [University of Hawaii at Manoa, H↗

Numerical propulsion system simulation

The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributors to the high cost is the need to perform many large scale system tests. Extensive testing is used to capture the complex interactions among the multiple disciplines and the multiple components inherent in complex systems. The objective of the Numerical Propulsion System Simulation (NPSS) is to provide insight into these complex interactions through computational simulations. This will allow for comprehensive evaluation of new concepts early in the design phase before a commitment to hardware is made. It will also allow for rapid assessment of field-related problems, particularly in cases where operational problems were encountered during conditions that would be difficult to simulate experimentally. The tremendous progress taking place in computational engineering and the rapid increase in computing power expected through parallel processing make this concept feasible within the near future. However it is critical that the framework for such simulations be put in place now to serve as a focal point for the continued developments in computational engineering and computing hardware and software. The NPSS concept which is described below will provide that framework.

R.W. Claus↗

Numerical propulsion system simulation

The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributors to the high cost is the need to perform many large scale system tests. Extensive testing is used to capture the complex interactions among the multiple disciplines and the multiple components inherent in complex systems. The objective of the Numerical Propulsion System Simulation (NPSS) is to provide insight into these complex interactions through computational simulations. This will allow for comprehensive evaluation of new concepts early in the design phase before a commitment to hardware is made. It will also allow for rapid assessment of field-related problems, particularly in cases where operational problems were encountered during conditions that would be difficult to simulate experimentally. The tremendous progress taking place in computational engineering and the rapid increase in computing power expected through parallel processing make this concept feasible within the near future. However it is critical that the framework for such simulations be put in place now to serve as a focal point for the continued developments in computational engineering and computing hardware and software. The NPSS concept which is described will provide that framework.

Lytle, John K.↗

Significance of DSMC Computed Aerothermal Environments in the Rarefied Regime for Atmospheric Entry Material Response

During Mars atmospheric entry, the Mars Science Laboratory (MSL) was protected by a 4.5 meters diameter ablative heatshield assembled in 113 tiles. The heatshield was made of NASA's flagship ablative material, the Phenolic Impregnated Carbon Ablator (PICA). Prior work compared the traditional one-dimensional and three-dimensional material response models at different locations in the heatshield. It was observed that the flow was basically one-dimensional in the nose and flank regions, but three-dimensional flow effects were observed in the outer flank. The objective of this work is to study the effects of the aerothermal environment on the material response. We extend prior work by computing aerothermal environments using the direct simulation Monte Carlo (DSMC) code SPARTA and the CFD code Data Parallel Line Relaxation (DPLR). SPARTA is used to compute environment in the rarefied regime prior to 48.4s of entry where the Knudsen number is such that the Navier-Stokes equations can be inaccurate. Similarly to previous work, the DPLR software is used to compute the hypersonic environment for laminar then turbulent boundary layer assumptions from 48.4 s up to 100 s after Entry Interface (EI) along the MSL 08-TPS-02/01a trajectory. We observe that extending the aerothermal environments to times prior to 48.4 s modifies the thermal response of the heat shield at the surface and in-depth; however the effects on the recession are minimal. Additionally, using the assumption of a turbulent boundary layer versus a laminar one leads to higher surface and in-depth temperatures, larger recession, and a displacement of the peak heating and peak recession location.

Aerothermal↗

Globalized Newton-Krylov-Schwarz Algorithms and Software for Parallel Implicit CFD

Implicit solution methods are important in applications modeled by PDEs with disparate temporal and spatial scales. Because such applications require high resolution with reasonable turnaround, "routine" parallelization is essential. The pseudo-transient matrix-free Newton-Krylov-Schwarz (Psi-NKS) algorithmic framework is presented as an answer. We show that, for the classical problem of three-dimensional transonic Euler flow about an M6 wing, Psi-NKS can simultaneously deliver: globalized, asymptotically rapid convergence through adaptive pseudo- transient continuation and Newton's method-, reasonable parallelizability for an implicit method through deferred synchronization and favorable communication-to-computation scaling in the Krylov linear solver; and high per- processor performance through attention to distributed memory and cache locality, especially through the Schwarz preconditioner. Two discouraging features of Psi-NKS methods are their sensitivity to the coding of the underlying PDE discretization and the large number of parameters that must be selected to govern convergence. We therefore distill several recommendations from our experience and from our reading of the literature on various algorithmic components of Psi-NKS, and we describe a freely available, MPI-based portable parallel software implementation of the solver employed here.

Gropp, W. D.↗

Distributed-Memory Sparse Deep Neural Network Inference Using Global Arrays

Partitioned Global Address Space (PGAS) models exhibit tremendous promise in developing efficient and productive distributed-memory parallel applications. They have been used extensively in scientific computations due to conveniently offering a ``shared-memory''-like model and convenient interfaces that separate communication with synchronization. Traditionally, PGAS communication models have been applied to dense/contiguously distributed data, but most modern applications depict varied levels of sparsity. Existing PGAS models require certain adaptations to support distributed sparse computations, since associated computations often require matrix arithmetic, in addition to data movement. The Global Arrays toolkit from Pacific Northwest National Laboratory (PNNL) is one of the earliest PGAS models to combine one-sided data communication and distributed matrix operations and is still used in the popular NWChem quantum chemistry suite. Recently, we have expanded the Global Arrays toolkit to support common sparse operations, like sparse matrix-dense matrix multiplies (SpMM), sparse matrix-sparse matrix multiplication (SpGEMM) and Sampled Dense-Dense Matrix Multiplication (SDDMM). As it turns out, these operations are the bedrock of sparse Deep Learning (DL); sparse deep neural networks and Graph Neural Networks (GNNs) have gained increasing attention recently in achieving speedups on training and inference with reduced memory footprints. Unlike scientific applications in High Performance Computing (HPC), modern (distributed-memory capable) DL toolkits often rely on non-standardized and closed-source vendor software optimizations, creating challenges in software-hardware co-design at scale. Our goal is to support a variety of distributed-memory sparse matrix operations and helper functions in the newly created Sparse Global Arrays (SGA), such that it is possible to build portable and productive Machine Learning scenarios for algorithm/software and hardware codesign purposes. Contemporary data-parallel schemes for training/inference are undergoing a major overhaul since model replication limits scalability and causes resource inefficiencies. As such, we have adopted tensor parallelism in decomposing the model and inputs, to mitigate memory issues. Current implementation is built on top of MPI and uses CPUs to maximize the portability across the platforms.

Distributed computing, machine learning↗