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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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DOE OSTI2024

PETSc/TAO Users Manual Revision 3.22

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations (PDEs) and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for implementing large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

PETSc/TAO Users Manual Revision 3.23

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

PETSc/TAO Users Manual Revision 3.24

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

PETSc/TAO Users Manual Revision 3.25

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

NASA NTRS2005

Training Software in Artificial-Intelligence Computing Techniques

The Artificial Intelligence (AI) Toolkit is a computer program for training scientists, engineers, and university students in three soft-computing techniques (fuzzy logic, neural networks, and genetic algorithms) used in artificial-intelligence applications. The program promotes an easily understandable tutorial interface, including an interactive graphical component through which the user can gain hands-on experience in soft-computing techniques applied to realistic example problems. The tutorial provides step-by-step instructions on the workings of soft-computing technology, whereas the hands-on examples allow interaction and reinforcement of the techniques explained throughout the tutorial. In the fuzzy-logic example, a user can interact with a robot and an obstacle course to verify how fuzzy logic is used to command a rover traverse from an arbitrary start to the goal location. For the genetic algorithm example, the problem is to determine the minimum-length path for visiting a user-chosen set of planets in the solar system. For the neural-network example, the problem is to decide, on the basis of input data on physical characteristics, whether a person is a man, woman, or child. The AI Toolkit is compatible with the Windows 95,98, ME, NT 4.0, 2000, and XP operating systems. A computer having a processor speed of at least 300 MHz, and random-access memory of at least 56MB is recommended for optimal performance. The program can be run on a slower computer having less memory, but some functions may not be executed properly.

Howard, Ayanna↗

DOE OSTI2020

PETSc Users Manual (Rev. 3.13)

This manual describes the use of PETSc for the numerical solution of partial differential equations and related problems on high-performance computers. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all message-passing communication. PETSc includes an expanding suite of parallel linear solvers, nonlinear solvers, and time integrators that may be used in application codes written in Fortran, C, C++, and Python. PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or dbx, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than \rolling them" yourself.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1997

Charon Toolkit for Parallel, Implicit Structured-Grid Computations: Functional Design

Charon is a software toolkit that enables engineers to develop high-performing message-passing programs in a convenient and piecemeal fashion. Emphasis is on rapid program development and prototyping. In this report a detailed description of the functional design of the toolkit is presented. It is illustrated by the stepwise parallelization of two representative code examples.

VanderWijngaart, Rob F.↗

DOE OSTI2020

The ARM Data-oriented Metrics and Diagnostics Package for Climate Models - A New Tool for Evaluating Climate Models with Field Data

The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program User Facility produces ground-based long-term continuous unique measurements for atmospheric state, precipitation, turbulent fluxes, radiation, aerosol, cloud and the land surface, which are collected at multiple sites. These comprehensive datasets have been widely used to calibrate climate models and are proven to be invaluable for climate model development and improvement. This article introduces an evaluation package to facilitate the use of ground-based ARM measurements in climate model evaluation. The ARM data-oriented metrics and diagnostics package (ARM-DIAGS) includes both ARM observational datasets and a Python-based analysis toolkit for computation and visualization. The observational datasets are compiled from multiple ARM data products and specifically tailored for use in climate model evaluation. In addition, ARM-DIAGS also includes simulation data from models participating the Coupled Model Inter-comparison Project (CMIP), which will allow climate-modeling groups to compare a new, candidate version of their model to existing CMIP models. The analysis toolkit is designed to make the metrics and diagnostics quickly available to the model developers.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

High Performance Approximate Computing

This code repository contains the implementation of the "High-Performance Approximate Computing" (HPAC) toolkit. The toolkit allows you to approximate your own C/C++. The developer uses "pragma's" to annotate code regions as approximate. The compiler extensions lower these pragmas to either compiletime approximate techniques or runtime approximation techniques. At execution time, the implemented runtime system decides which annotated regions it should approximate. HPAC also provides a set of script utilities. The utilities perform a grid search within approximation parameters and performance. The user can analyze the raw data to identify optimal approximation techniques for the application.

Parasyris, Konstantinos↗

DOE OSTI2021

TChem v3.0: A Software Toolkit for the Analysis of Complex Kinetic Models

The TChem open-source software is a toolkit for computing thermodynamic properties, source term, and source term’s Jacobian matrix for chemical kinetic models that involve gas and surface reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Flow Analysis Software Toolkit

Flow Analysis Software Toolkit (FAST) computer program provides software environment facilitating visualization of data. Collection of separate programs (modules) running simultaneously and helps user to examine results of numerical and experimental simulations. Intended for graphical depiction of computed flows, also assists in analysis of other types of data. Combines capabilities of such programs as PLOT3D, RIP, SURF, and GAS into one software environment with modules sharing data. All modules have consistent, highly interactive graphical user interface. Modular construction makes it flexible and extensible. Environment custom-configured, and new modules developed and added as needed. Written in ANSI compliant FORTRAN 77 and C language.

Watson, Velvin↗

NASA NTRS1998

Quantity, Revisited: An Object-Oriented Reusable Class

"Quantity", a prototype implementation of an object-oriented class, was developed for two reasons: to help engineers and scientists manipulate the many types of quantities encountered during routine analysis, and to create a reusable software component to for large domain-specific applications. From being used as a stand-alone application to being incorporated into an existing computational mechanics toolkit, "Quantity" appears to be a useful and powerful object. "Quantity" has been designed to maintain the full engineering meaning of values with respect to units and coordinate systems. A value is a scalar, vector, tensor, or matrix, each of which is composed of Value Components, each of which may be an integer, floating point number, fuzzy number, etc., and its associated physical unit. Operations such as coordinate transformation and arithmetic operations are handled by member functions of "Quantity". The prototype has successfully tested such characteristics as maintaining a numeric value, an associated unit, and an annotation. In this paper we further explore the design of "Quantity", with particular attention to coordinate systems.

Funston, Monica Gayle↗

NASA NTRSDate not supplied

Developing Methods for Exercise System Kinematic Tracking

BACKGROUND How to quantify the load and forces produced by exercise equipment and their Vibration Isolation and Stabilization (VIS) platforms in-flight is an active area of investigation. Kinematic tracking paired with system modeling can provide insights as well as verification and validation of simulations used for system design and development. Traditional motion capture methods can require significant cost in equipment procurement and crew-time, but newer lessons learned can be leveraged [1]. The VIS systems of current and future exercise hardware on the International Space Station (ISS) such as the Cycle Ergometer with Vibration Isolation System (CEVIS) and the European Enhanced Exploration Exercise Device (E4D) are not currently outfitted with IMUs or similar measurement devices. Video-based methods would enable use of multi-purpose, crew-familiar flight equipment. An initial exploration of video-based solutions was performed utilizing 2-camera video from crew cycling on Teal-CEVIS on the ISS. METHODS AND RESULTS Our group has scoped a variety of video-based object tracking methods. To date, we have primarily investigated computer vision toolkits such as open CV. Techniques explored include key-point detection, background subtraction, region-of interest tracking, color-based tracking, tag masking and tracking, and corner detection. Although object-tracking and 6D pose estimation is a rich field, space applications are a unique problem that are challenging for existing software and toolkits. The majority of the existing object-tracking applications involve vehicles/pedestrians and household objects with simple backgrounds. We have identified the following features which pose particular challenges for on-station exercise equipment tracking: 1. Busy and visually cluttered background 2. Low-textured tracking object with relatively small motions 3. Occlusions and motion by human subject and loose, floating objects 4. Limited number of video cameras with no fixed global references 5. Limited ability to add tags, markers, or visual references to the tracking object 6. Lack of training data for Machine Learning (ML) algorithms CONCLUSION We will summarize the efficacy of techniques tested for a ground mock-trial and the on-station exercise trial. It is likely that human-in-loop feedback or a conglomerate of methods is required. ML-based methods, like those implemented for human body tracking [2], may still be a viable option, but more training data and validation is needed.

L Nilsson↗

NASA NTRSDate not supplied

Developing Methods for Exercise System Kinematics Tracking

BACKGROUND How to quantify the load and forces produced by exercise equipment and their Vibration Isolation and Stabilization (VIS) platforms in-flight is an active area of investigation. Kinematic tracking paired with system modeling can provide insights as well as verification and validation of simulations used for system design and development. Traditional motion capture methods can require significant cost in equipment procurement and crew-time, but newer lessons learned can be leveraged [1]. The VIS systems of current and future exercise hardware on the International Space Station (ISS) such as the Cycle Ergometer with Vibration Isolation System (CEVIS) and the European Enhanced Exploration Exercise Device (E4D) are not currently outfitted with IMUs or similar measurement devices. Video-based methods would enable use of multi-purpose, crew-familiar flight equipment. An initial exploration of video-based solutions was performed utilizing 2-camera video from crew cycling on Teal-CEVIS on the ISS. METHODS AND RESULTS Our group has scoped a variety of video-based object tracking methods. To date, we have primarily investigated computer vision toolkits such as openCV. Techniques explored include key-point detection, background subtraction, region-of interest tracking, color-based tracking, tag masking and tracking, and corner detection. Although object-tracking and 6D pose estimation is a rich field, space applications are a unique problem that are challenging for existing software and toolkits. The majority of the existing object-tracking applications involve vehicles/pedestrians and household objects with simple backgrounds. We have identified the following features which pose particular challenges for on-station exercise equipment tracking: Busy and visually cluttered background Low-textured tracking object with relatively small motions Occlusions and motion by human subject and loose, floating objects Limited number of video cameras with no fixed global references Limited ability to add tags, markers, or visual references to the tracking object Lack of training data for Machine Learning (ML) algorithms CONCLUSION We will summarize the efficacy of techniques tested for a ground mock-trial and the on-station exercise trial. It is likely that human-in-loop feedback or a conglomerate of methods is required. ML-based methods, like those implemented for human body tracking [2], may still be a viable option, but more training data and validation is needed.

L B Nilsson↗

DOE OSTI2020

A scalable matrix-free spectral element approach for unsteady PDE constrained optimization using PETSc/TAO

In this work, we provide a new approach for the efficient matrix-free application of the transpose of the Jacobian for the spectral element method for the adjoint-based solution of partial differential equation (PDE) constrained optimization. This results in optimizations of nonlinear PDEs using explicit integrators where the integration of the adjoint problem is not more expensive than the forward simulation. Solving PDE constrained optimization problems entails combining expertise from multiple areas, including simulation, computation of derivatives, and optimization. The Portable, Extensible Toolkit for Scientific computation (PETSc) together with its companion package, the Toolkit for Advanced Optimization (TAO), is an integrated numerical software library that contains an algorithmic/software stack for solving linear systems, nonlinear systems, ordinary differential equations, differential algebraic equations, and large-scale optimization problems and, as such, is an ideal tool for performing PDE-constrained optimization. This paper describes an efficient approach in which the software stack provided by PETSc/TAO can be used for large-scale nonlinear time-dependent problems. Time integration can involve a range of high-order methods, both implicit and explicit. The PDE-constrained optimization algorithm used is gradient-based and seamlessly integrated with the simulation of the physical problem.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Performance Assessment of OVERFLOW on Distributed Computing Environment

The aerodynamic computer code, OVERFLOW, with a multi-zone overset grid feature, has been parallelized to enhance its performance on distributed and shared memory paradigms. Practical application benchmarks have been set to assess the efficiency of code's parallelism on high-performance architectures. The code's performance has also been experimented with in the context of the distributed computing paradigm on distant computer resources using the Information Power Grid (IPG) toolkit, Globus. Two parallel versions of the code, namely OVERFLOW-MPI and -MLP, have developed around the natural coarse grained parallelism inherent in a multi-zonal domain decomposition paradigm. The algorithm invokes a strategy that forms a number of groups, each consisting of a zone, a cluster of zones and/or a partition of a large zone. Each group can be thought of as a process with one or multithreads assigned to it and that all groups run in parallel. The -MPI version of the code uses explicit message-passing based on the standard MPI library for sending and receiving interzonal boundary data across processors. The -MLP version employs no message-passing paradigm; the boundary data is transferred through the shared memory. The -MPI code is suited for both distributed and shared memory architectures, while the -MLP code can only be used on shared memory platforms. The IPG applications are implemented by the -MPI code using the Globus toolkit. While a computational task is distributed across multiple computer resources, the parallelism can be explored on each resource alone. Performance studies are achieved with some practical aerodynamic problems with complex geometries, consisting of 2.5 up to 33 million grid points and a large number of zonal blocks. The computations were executed primarily on SGI Origin 2000 multiprocessors and on the Cray T3E. OVERFLOW's IPG applications are carried out on NASA homogeneous metacomputing machines located at three sites, Ames, Langley and Glenn. Plans for the future will exploit the distributed parallel computing capability on various homogeneous and heterogeneous resources and large scale benchmarks. Alternative IPG toolkits will be used along with sophisticated zonal grouping strategies to minimize the communication time across the computer resources.

Djomehri, M. Jahed↗

NASA NTRS2003

Software Aids Visualization of Computed Unsteady Flow

Unsteady Flow Analysis Toolkit (UFAT) is a computer program that synthesizes motions of time-dependent flows represented by very large sets of data generated in computational fluid dynamics simulations. Prior to the development of UFAT, it was necessary to rely on static, single-snapshot depictions of time-dependent flows generated by flow-visualization software designed for steady flows. Whereas it typically takes weeks to analyze the results of a largescale unsteady-flow simulation by use of steady-flow visualization software, the analysis time is reduced to hours when UFAT is used. UFAT can be used to generate graphical objects of flow visualization results using multi-block curvilinear grids in the format of a previously developed NASA data-visualization program, PLOT3D. These graphical objects can be rendered using FAST, another popular flow visualization software developed at NASA. Flow-visualization techniques that can be exploited by use of UFAT include time-dependent tracking of particles, detection of vortex cores, extractions of stream ribbons and surfaces, and tetrahedral decomposition for optimal particle tracking. Unique computational features of UFAT include capabilities for automatic (batch) processing, restart, memory mapping, and parallel processing. These capabilities significantly reduce analysis time and storage requirements, relative to those of prior flow-visualization software. UFAT can be executed on a variety of supercomputers.

Kao, David↗

NASA NTRS1997

Charon Toolkit for Parallel, Implicit Structured-Grid Computations: Functional Design

In a previous report the design concepts of Charon were presented. Charon is a toolkit that aids engineers in developing scientific programs for structured-grid applications to be run on MIMD parallel computers. It constitutes an augmentation of the general-purpose MPI-based message-passing layer, and provides the user with a hierarchy of tools for rapid prototyping and validation of parallel programs, and subsequent piecemeal performance tuning. Here we describe the implementation of the domain decomposition tools used for creating data distributions across sets of processors. We also present the hierarchy of parallelization tools that allows smooth translation of legacy code (or a serial design) into a parallel program. Along with the actual tool descriptions, we will present the considerations that led to the particular design choices. Many of these are motivated by the requirement that Charon must be useful within the traditional computational environments of Fortran 77 and C. Only the Fortran 77 syntax will be presented in this report.

VanderWijngaart, Rob F.↗