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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Enabling Parallel Performance and Portability of Solid Mechanics Simulations Across CPU and GPU Architectures

Efficiently simulating solid mechanics is vital across various engineering applications. As constitutive models grow more complex and simulations scale up in size, harnessing the capabilities of modern computer architectures has become essential for achieving timely results. This paper presents advancements in running parallel simulations of solid mechanics on multi-core CPUs and GPUs using a single-code implementation. This portability is made possible by the C++ matrix and array (MATAR) library, which interfaces with the C++ Kokkos library, enabling the selection of fine-grained parallelism backends (e.g., CUDA, HIP, OpenMP, pthreads, etc.) at compile time. MATAR simplifies the transition from Fortran to C++ and Kokkos, making it easier to modernize legacy solid mechanics codes. We applied this approach to modernize a suite of constitutive models and to demonstrate substantial performance improvements across different computer architectures. This paper includes comparative performance studies using multi-core CPUs along with AMD and NVIDIA GPUs. Results are presented using a hypoelastic–plastic model, a crystal plasticity model, and the viscoplastic self-consistent generalized material model (VPSC-GMM). The results underscore the potential of using the MATAR library and modern computer architectures to accelerate solid mechanics simulations.

Morgan, Nathaniel (ORCID:0000000276118449)↗
DOE OSTI2025

Toucan: A performance portable, scalable implementation of the DECA algorithm

In the field of additive manufacturing (AM), cellular automata (CA) is extensively used to simulate microstructural evolution during solidification. However, while traditional CA approaches are relatively fast, they still require a substantial number of time steps, are limited to moderate volumes, and are relatively difficult to improve through parallelism due to the highly localized nature of the solidification front. Here, to address these issues of time to solution and load balancing, we introduce Toucan, a parallel, performance-portable, and scalable code written in C++ with the Kokkos library that leverages the discrete event inspired cellular automata (DECA) algorithm to perform parallel-in-time (PinT) grain growth simulations. Toucan effectively mitigates load balancing issues by distributing the computational workload more evenly across processors, enhancing scalability and efficiency. We conduct both strong and weak scaling studies on up to 64 GPUs on the Frontier supercomputer, demonstrating that Toucan significantly outperforms the current state-of-the-art, time-stepped CA code, ExaCA, on both single and multi-GPU simulations. Even in AM-specific weak scaling scenarios, Toucan maintains near-ideal scaling, in contrast to the linear increase observed with ExaCA due to the moving laser raster pattern. This study highlights Toucan’s potential to transform microstructural simulations in AM by radically improving both efficiency and scalability over existing methods.

36 MATERIALS SCIENCE↗
DOE OSTI2025

ExaCA v2.0: A versatile, scalable, and performance portable cellular automata application for additive manufacturing solidification

The previously established ExaCA software for performance portable alloy grain structure simulation has been updated to better represent the solidification behavior during complex alloy processing conditions, such as those encountered during metal additive manufacturing (AM), and for improved performance and scalability. Here, an extension to the time–temperature history input data format and the core ExaCA algorithm to include an arbitrary number of melting and solidification events yielded improved prediction of texture for various melt pool geometries, expanding the range of AM-relevant conditions that can be accurately simulated. Improved heat transport process simulation coupling, including the creation of large raster datasets from single track time–temperature history data and in-memory coupling with the new, performance portable finite difference code Finch, were also demonstrated in example studies on the effect of multilayer AM microstructure predictions on hatch spacing and cell size, respectively. Additional new features are detailed and demonstrated, including the ability to perform simulations using various interfacial response function forms, execute simulations on state-of-the-art hardware, improved usability through post-processing versatility, and improved strong and weak scaling performance. The performance, physics, and versatility improvements demonstrated here will further enable large-scale studies on AM process–microstructure relationships that were not previously possible. Furthermore, the usability improvements and ability to run coupled AM process–microstructure simulations using the Finch-ExaCA workflow will facilitate broader use of this open-source software by the computational materials community.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Environment parameters and basic functions for floating-point computation

A language-independent proposal for environment parameters and basic functions for floating-point computation is presented. Basic functions are proposed to analyze, synthesize, and scale floating-point numbers. The model provides a small set of parameters and a small set of axioms along with sharp measures of roundoff error. The parameters and functions can be used to write portable and robust codes that deal intimately with the floating-point representation. Subject to underflow and overflow constraints, a number can be scaled by a power of the floating-point radix inexpensively and without loss of precision. A specific representation for FORTRAN is included.

Brown, W. S.↗
NASA NTRS1993

Hierarchical nonlinear behavior of hot composite structures

Hierarchical computational procedures are described to simulate the multiple scale thermal/mechanical behavior of high temperature metal matrix composites (HT-MMC) in the following three broad areas: (1) behavior of HT-MMC's from micromechanics to laminate via METCAN (Metal Matrix Composite Analyzer), (2) tailoring of HT-MMC behavior for optimum specific performance via MMLT (Metal Matrix Laminate Tailoring), and (3) HT-MMC structural response for hot structural components via HITCAN (High Temperature Composite Analyzer). Representative results from each area are presented to illustrate the effectiveness of computational simulation procedures and accompanying computer codes. The sample case results show that METCAN can be used to simulate material behavior such as the entire creep span; MMLT can be used to concurrently tailor the fabrication process and the interphase layer for optimum performance such as minimum residual stresses; and HITCAN can be used to predict the structural behavior such as the deformed shape due to component fabrication. These codes constitute virtual portable desk-top test laboratories for characterizing HT-MMC laminates, tailoring the fabrication process, and qualifying structural components made from them.

Murthy, P. L. N.↗
NASA NTRS2000

Perspectives on the Future of CFD

This viewgraph presentation gives an overview of the future of computational fluid dynamics (CFD), which in the past has pioneered the field of flow simulation. Over time CFD has progressed as computing power. Numerical methods have been advanced as CPU and memory capacity increases. Complex configurations are routinely computed now and direct numerical simulations (DNS) and large eddy simulations (LES) are used to study turbulence. As the computing resources changed to parallel and distributed platforms, computer science aspects such as scalability (algorithmic and implementation) and portability and transparent codings have advanced. Examples of potential future (or current) challenges include risk assessment, limitations of the heuristic model, and the development of CFD and information technology (IT) tools.

Kwak, Dochan↗
NASA NTRS1997

Communication Studies of DMP and SMP Machines

Understanding the interplay between machines and problems is key to obtaining high performance on parallel machines. This paper investigates the interplay between programming paradigms and communication capabilities of parallel machines. In particular, we explicate the communication capabilities of the IBM SP-2 distributed-memory multiprocessor and the SGI PowerCHALLENGEarray symmetric multiprocessor. Two benchmark problems of bitonic sorting and Fast Fourier Transform are selected for experiments. Communication-efficient algorithms are developed to exploit the overlapping capabilities of the machines. Programs are written in Message-Passing Interface for portability and identical codes are used for both machines. Various data sizes and message sizes are used to test the machines' communication capabilities. Experimental results indicate that the communication performance of the multiprocessors are consistent with the size of messages. The SP-2 is sensitive to message size but yields a much higher communication overlapping because of the communication co-processor. The PowerCHALLENGEarray is not highly sensitive to message size and yields a low communication overlapping. Bitonic sorting yields lower performance compared to FFT due to a smaller computation-to-communication ratio.

Sohn, Andrew↗
NASA NTRS2005

A Parallel Processing Algorithm for Remote Sensing Classification

A current thread in parallel computation is the use of cluster computers created by networking a few to thousands of commodity general-purpose workstation-level commuters using the Linux operating system. For example on the Medusa cluster at NASA/GSFC, this provides for super computing performance, 130 G(sub flops) (Linpack Benchmark) at moderate cost, $370K. However, to be useful for scientific computing in the area of Earth science, issues of ease of programming, access to existing scientific libraries, and portability of existing code need to be considered. In this paper, I address these issues in the context of tools for rendering earth science remote sensing data into useful products. In particular, I focus on a problem that can be decomposed into a set of independent tasks, which on a serial computer would be performed sequentially, but with a cluster computer can be performed in parallel, giving an obvious speedup. To make the ideas concrete, I consider the problem of classifying hyperspectral imagery where some ground truth is available to train the classifier. In particular I will use the Support Vector Machine (SVM) approach as applied to hyperspectral imagery. The approach will be to introduce notions about parallel computation and then to restrict the development to the SVM problem. Pseudocode (an outline of the computation) will be described and then details specific to the implementation will be given. Then timing results will be reported to show what speedups are possible using parallel computation. The paper will close with a discussion of the results.

Gualtieri, J. Anthony↗
NASA NTRS2003

Mobile Sensor Technologies Being Developed

The NASA Glenn Research Center is developing small mobile platforms for sensor placement, as well as methods for communicating between roving platforms and a central command location. The first part of this project is to use commercially available equipment to miniaturize an existing sensor platform. We developed a five-circuit-board suite, with an average board size of 1.5 by 3 cm. Shown in the preceding photograph, this suite provides all motor control, direction finding, and communications capabilities for a 27- by 21- by 40-mm prototype mobile platform. The second part of the project is to provide communications between mobile platforms, and also between multiple platforms and a central command location. This is accomplished with a low-power network labeled "SPAN," Sensor Platform Area Network, a local area network made up of proximity elements. In practice, these proximity elements are composed of fixed- and mobile-sensor-laden science packages that communicate to each other via radiofrequency links. Data in the network will be shared by a central command location that will pass information into and out of the network through its access to a backbone element. The result will be a protocol portable to general purpose microcontrollers satisfying a host of sensor networking tasks. This network will enter the gap somewhere between television remotes and Bluetooth but, unlike 802.15.4, will not specify a physical layer, thus allowing for many data rates over optical, acoustical, radiofrequency, hardwire, or other media. Since the protocol will exist as portable C-code, developers may be able to embed it in a host of microcontrollers from commercial to space grade and, of course, to design it into ASICs. Unlike in 802.15.4, the nodes will relate to each other as peers. A demonstration of this protocol using the two test bed platforms was recently held. Two NASA modified, commercially available, mobile platforms communicated and shared data with each other and a central command location. Web-based control and interrogation of similar mobile sensor platforms have also been demonstrated. Expected applications of this technology include robotic planetary exploration, astronaut-to-equipment communication, and remote aerospace engine inspections.

FROM↗
NASA NTRS1992

The multidimensional self-adaptive grid code, SAGE

This report describes the multidimensional self-adaptive grid code SAGE. A two-dimensional version of this code was described in an earlier report by the authors. The formulation of the multidimensional version is described in the first section of this document. The second section is presented in the form of a user guide that explains the input and execution of the code and provides many examples. Successful application of the SAGE code in both two and three dimensions for the solution of various flow problems has proven the code to be robust, portable, and simple to use. Although the basic formulation follows the method of Nakahashi and Deiwert, many modifications have been made to facilitate the use of the self-adaptive grid method for complex grid structures. Modifications to the method and the simplified input options make this a flexible and user-friendly code. The new SAGE code can accommodate both two-dimensional and three-dimensional flow problems.

Davies, Carol B.↗
NASA NTRS1995

The multidimensional Self-Adaptive Grid code, SAGE, version 2

This new report on Version 2 of the SAGE code includes all the information in the original publication plus all upgrades and changes to the SAGE code since that time. The two most significant upgrades are the inclusion of a finite-volume option and the ability to adapt and manipulate zonal-matching multiple-grid files. In addition, the original SAGE code has been upgraded to Version 1.1 and includes all options mentioned in this report, with the exception of the multiple grid option and its associated features. Since Version 2 is a larger and more complex code, it is suggested (but not required) that Version 1.1 be used for single-grid applications. This document contains all the information required to run both versions of SAGE. The formulation of the adaption method is described in the first section of this document. The second section is presented in the form of a user guide that explains the input and execution of the code. The third section provides many examples. Successful application of the SAGE code in both two and three dimensions for the solution of various flow problems has proven the code to be robust, portable, and simple to use. Although the basic formulation follows the method of Nakahashi and Deiwert, many modifications have been made to facilitate the use of the self-adaptive grid method for complex grid structures. Modifications to the method and the simple but extensive input options make this a flexible and user-friendly code. The SAGE code can accommodate two-dimensional and three-dimensional, finite-difference and finite-volume, single grid, and zonal-matching multiple grid flow problems.

Davies, Carol B.↗
NASA NTRS1994

A high-speed linear algebra library with automatic parallelism

Parallel or distributed processing is key to getting highest performance workstations. However, designing and implementing efficient parallel algorithms is difficult and error-prone. It is even more difficult to write code that is both portable to and efficient on many different computers. Finally, it is harder still to satisfy the above requirements and include the reliability and ease of use required of commercial software intended for use in a production environment. As a result, the application of parallel processing technology to commercial software has been extremely small even though there are numerous computationally demanding programs that would significantly benefit from application of parallel processing. This paper describes DSSLIB, which is a library of subroutines that perform many of the time-consuming computations in engineering and scientific software. DSSLIB combines the high efficiency and speed of parallel computation with a serial programming model that eliminates many undesirable side-effects of typical parallel code. The result is a simple way to incorporate the power of parallel processing into commercial software without compromising maintainability, reliability, or ease of use. This gives significant advantages over less powerful non-parallel entries in the market.

Boucher, Michael L.↗
DOE OSTI2025

Implementation of McMurchie–Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors

We report an implementation of the McMurchie− Davidson evaluation scheme for 1- and 2-particle Gaussian AO integrals designed for processors with Single Instruction Multiple Data (SIMD) instruction sets. Like in our recent MD implementation for graphical processing units (GPUs) [Asadchev, A.; Valeev, E. F.. J. Chem. Phys. 2024, 160, 244109.], variable-sized batches of shellsets of integrals are evaluated at a time. By optimizing for the floating point instruction throughput rather than minimizing the number of operations, this approach achieves up to 50% of the theoretical hardware peak FP64 performance for many common SIMD-equipped platforms (AVX2, AVX512, NEON), which translates to speedups of up to 30 over the state-of-the-art one-shellset-at-a-time implementation of Obara−Saika-type schemes in Libint for a variety of primitive and contracted integrals. As with our previous work, we rely on the standard C++ programming language such as the std::simd standard library feature to be included in the 2026 ISO C++ standard without any explicit code generation to keep the code base small and portable. The implementation is part of the open source LibintX library freely available at https://github.com/ValeevGroup/libintx.

Basis sets↗
NASA NTRS1982

Linear-Algebra Programs

The Basic Linear Algebra Subprograms (BLAS) library is a collection of 38 FORTRAN-callable routines for performing basic operations of numerical linear algebra. BLAS library is portable and efficient source of basic operations for designers of programs involving linear algebriac computations. BLAS library is supplied in portable FORTRAN and Assembler code versions for IBM 370, UNIVAC 1100 and CDC 6000 series computers.

Lawson, C. L.↗
NASA NTRS1999

A Robust and Scalable Software Library for Parallel Adaptive Refinement on Unstructured Meshes

The design and implementation of Pyramid, a software library for performing parallel adaptive mesh refinement (PAMR) on unstructured meshes, is described. This software library can be easily used in a variety of unstructured parallel computational applications, including parallel finite element, parallel finite volume, and parallel visualization applications using triangular or tetrahedral meshes. The library contains a suite of well-designed and efficiently implemented modules that perform operations in a typical PAMR process. Among these are mesh quality control during successive parallel adaptive refinement (typically guided by a local-error estimator), parallel load-balancing, and parallel mesh partitioning using the ParMeTiS partitioner. The Pyramid library is implemented in Fortran 90 with an interface to the Message-Passing Interface (MPI) library, supporting code efficiency, modularity, and portability. An EM waveguide filter application, adaptively refined using the Pyramid library, is illustrated.

Lou, John Z.↗
NASA NTRS1995

A Data Parallel Multizone Navier-Stokes Code

We have developed a data parallel multizone compressible Navier-Stokes code on the Connection Machine CM-5. The code is set up for implicit time-stepping on single or multiple structured grids. For multiple grids and geometrically complex problems, we follow the "chimera" approach, where flow data on one zone is interpolated onto another in the region of overlap. We will describe our design philosophy and give some timing results for the current code. The design choices can be summarized as: 1. finite differences on structured grids; 2. implicit time-stepping with either distributed solves or data motion and local solves; 3. sequential stepping through multiple zones with interzone data transfer via a distributed data structure. We have implemented these ideas on the CM-5 using CMF (Connection Machine Fortran), a data parallel language which combines elements of Fortran 90 and certain extensions, and which bears a strong similarity to High Performance Fortran (HPF). One interesting feature is the issue of turbulence modeling, where the architecture of a parallel machine makes the use of an algebraic turbulence model awkward, whereas models based on transport equations are more natural. We will present some performance figures for the code on the CM-5, and consider the issues involved in transitioning the code to HPF for portability to other parallel platforms.

Jespersen, Dennis C.↗
NASA NTRS2015

Big Software for SmallSats: Adapting CFS to CubeSat Missions

Expanding capabilities and mission objectives for SmallSats and CubeSats is driving the need for reliable, reusable, and robust flight software. While missions are becoming more complicated and the scientific goals more ambitious, the level of acceptable risk has decreased. Design challenges are further compounded by budget and schedule constraints that have not kept pace. NASA's Core Flight Software System (cFS) is an open source solution which enables teams to build flagship satellite level flight software within a CubeSat schedule and budget. NASA originally developed cFS to reduce mission and schedule risk for flagship satellite missions by increasing code reuse and reliability. The Lunar Reconnaissance Orbiter, which launched in 2009, was the first of a growing list of Class B rated missions to use cFS. Large parts of cFS are now open source, which has spurred adoption outside of NASA. This paper reports on the experiences of two teams using cFS for current CubeSat missions. The performance overheads of cFS are quantified, and the reusability of code between missions is discussed. The analysis shows that cFS is well suited to use on CubeSats and demonstrates the portability and modularity of cFS code.

Open Source↗
NASA NTRS1977

Software for transferring NASTRAN datablocks between dissimilar computers

Efforts to freely exchange all types of NASTRAN datablocks between the internalized forms in any of three makes of NASTRAN-class computers and that of any other such make are described. The medium used is magnetic tape formatted in BCD (Binary Coded Decimal) character and numerical fields. The method used involves a FORTRAN-coded post-processor and a pre-processor, mostly portable but with a small assembly-coded component peculiar to each make of machine. Snags in a method reported in an earlier NASTRAN colloquium have been overcome and functional requirements upgraded as well.

Rosencranz, R.↗