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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 325 records · Page 18

All sources NASA NTRS DOE OSTI

DOE OSTI2019

Component based development of computer-aided tools for different applications

Computer-aided methods and tools are used at different stages of chemical process development. However new tools are needed to meet the current and future challenges through innovative and more sustainable solutions that the currently available tools may not be able to provide. This work focuses on component-based software architecture for development of tailor-made computer-aided tools for specific application objectives. The architecture is based on “components”, which can be model-objects that are stored in a library; collection of property models; databases; numerical solvers; design-algorithms (work-flows) etc. Furthermore, the main idea of these components is to incorporate a plug & play framework, where for a specific purpose, after the work-flow and associated data-flow are established, a specific computer-aided tool can be configured through a library of software components. Also, through the use of software components that are based on predictive model-based solution techniques, the final software can be reliably used to provide innovative and more sustainable solutions over a wide range of problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Highly efficient libraries design for saturation mutagenesis

Abstract Saturation mutagenesis is a semi-rational approach for protein engineering where sites are saturated either entirely or partially to include amino acids of interest. We previously reported on a codon compression algorithm, where a set of minimal degenerate codons are selected according to user-defined parameters such as the target organism, type of saturation and usage levels. Here, we communicate an addition to our web tool that considers the distance between the wild-type codon and the library, depending on its purpose. These forms of restricted collections further reduce library size, lowering downstream screening efforts or, in turn, allowing more comprehensive saturation of multiple sites. The library design tool can be accessed via http://www.dynamcc.com/dynamcc_d/. Graphical Abstract

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2014

Use of the NetBeans Platform for NASA Robotic Conjunction Assessment Risk Analysis

The latest Java and JavaFX technologies are very attractive software platforms for customers involved in space mission operations such as those of NASA and the US Air Force. For NASA Robotic Conjunction Assessment Risk Analysis (CARA), the NetBeans platform provided an environment in which scalable software solutions could be developed quickly and efficiently. Both Java 8 and the NetBeans platform are in the process of simplifying CARA development in secure environments by providing a significant amount of capability in a single accredited package, where accreditation alone can account for 6-8 months for each library or software application. Capabilities either in use or being investigated by CARA include: 2D and 3D displays with JavaFX, parallelization with the new Streams API, and scalability through the NetBeans plugin architecture.

assessment↗

NASA NTRS1974

Automated analysis of video data

A software/hardware system designed and developed to perform automated video imagery analysis is described. Major elements included in the analysis system are: (1) sampling oscilloscope; (2) programmable trigger unit; (3) central computer; and (4) software processing library. The function of the scope and trigger unit, in conjunction with the control computer, is to digitize the selected portion of the video image and store as amplitude and time data in computer memory. Evaluation of the video data, analogus to interpretation of a visual image, is accomplished by the processing software. It is indicated that this technique of video image analysis is applicable to a wide variety of nonaerospace applications involving video data and image analysis.

Hafner, D. J.↗

NASA NTRS1975

Image 100 procedures manual development: Applications system library definition and Image 100 software definition

An outline for an Image 100 procedures manual for Earth Resources Program image analysis was developed which sets forth guidelines that provide a basis for the preparation and updating of an Image 100 Procedures Manual. The scope of the outline was limited to definition of general features of a procedures manual together with special features of an interactive system. Computer programs were identified which should be implemented as part of an applications oriented library for the system.

Guseman, L. F., Jr.↗

DOE OSTI2015

Batched matrix computations on hardware accelerators based on GPUs

Scientific applications require solvers that work on many small size problems that are independent from each other. At the same time, the high-end hardware evolves rapidly and becomes ever more throughput-oriented and thus there is an increasing need for an effective approach to develop energy-efficient, high-performance codes for these small matrix problems that we call batched factorizations. The many applications that need this functionality could especially benefit from the use of GPUs, which currently are four to five times more energy efficient than multicore CPUs on important scientific workloads. This study, consequently, describes the development of the most common, one-sided factorizations, Cholesky, LU, and QR, for a set of small dense matrices. The algorithms we present together with their implementations are, by design, inherently parallel. In particular, our approach is based on representing the process as a sequence of batched BLAS routines that are executed entirely on a GPU. Importantly, this is unlike the LAPACK and the hybrid MAGMA factorization algorithms that work under drastically different assumptions of hardware design and efficiency of execution of the various computational kernels involved in the implementation. Thus, our approach is more efficient than what works for a combination of multicore CPUs and GPUs for the problems sizes of interest of the application use cases. The paradigm where upon a single chip (a GPU or a CPU) factorizes a single problem at a time is not at all efficient in our applications’ context. We illustrate all of these claims through a detailed performance analysis. With the help of profiling and tracing tools, we guide our development of batched factorizations to achieve up to two-fold speedup and three-fold better energy efficiency as compared against our highly optimized batched CPU implementations based on MKL library. Finally, the tested system featured two sockets of Intel Sandy Bridge CPUs and we compared with a batched LU factorizations featured in the CUBLAS library for GPUs, we achieve as high as 2.5× speedup on the NVIDIA K40 GPU.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

ARM Data Integrator

The Atmospheric Radiation Measurement (ARM) Data Integrator (ADI) streamlines the development of scientific algorithms and analysis of time-series NetCDF data, and improves the content and consistency of the output data products produced by these algorithms. The framework automates the process of retrieving and preparing data for analysis, and allows users to design output data products through a graphical interface. It also provides a modular, flexible software development architecture that scientists can use to generate C, Python, and IDL source code templates that embed the pre and post processing logic allowing the scientist to focus on only their science. The input data, preprocessing, and output data specifications of algorithms are defined through a graphical interface and stored in a database. ADI implements workflow for data integration and supports user access to data through a library of software modules. Data preprocess capabilities supported include automated retrieval of data from input files, merging the retrieved data into appropriately sized chunks, and transformation of the data onto a common coordinate system grid. Through the graphical interface, users can view the details of both their data products and those in the ARM catalog and allows developers to use existing data product to build new data products. Views of the output data products include an overlay of how the design meets ARM archive's data standards providing the user with a visual cue indicating where their output violates an archive standard. The ADI libraries access the information provided through the GUI via a Postgres database. The ADI framework and its supporting components can significantly decrease the time and cost of implementing scientific algorithms while improving the ability of scientists to disseminate their results.

Source record↗

DOE OSTI2014

ARM Data Integrator

Source record↗

NASA NTRS2001

External Validity Considerations of a Biocybernetic System for Adaptive Automation

The report discusses the results of a research project aimed at generating a software application library termed the DAQ EEG Processor (or DEP) that collects and processes raw electroencephalographic data. The purpose of this system is to reduce raw EEG data in real time into information that is useful to researchers, such as power bands and indices of engagement. DEP improves upon existing EEG processing systems in that it can be seamlessly integrated into many software development environments to provide realtime data. DEP takes advantage of Microsoft Corporation's Component Object Model Technology (COM), which, in short, allows language independent, inter-application communication and transfer of data. According to the COM specification, COM objects can be written in different languages, run in different process spaces and on different platforms. As long as the objects adhere to the specification, they can communicate.

Scerbo, Mark W.↗

DOE OSTI2019

ExaTENSOR

ExaTENSOR is a software math library for performing basic numerical tensor algebra operations on distributed heterogeneous HPC platforms. The library provides the following basic numerical tensor algebra primitives: tensor contraction, tensor product, tensor addition, tensor scaling by a scalar, etc. ExaTENSOR supports dense, block-sparse and hierarchical block-sparse tensors stored and processed across many heterogeneous HPC nodes (node equipped with NVIDIA GPU and Intel Xeon Phi have been considered so far). The architecture of ExaTENSOR is based on the concept of domain-specific virtual processor (DSVP), that is, an intermediate software layer capable of processing domain-specific instructions, in this case, numerical tensor algebra instructions. In this way, a separation of the domain-specific algorithm expression and hardware-agnostic algorithm execution is achieved, thus ensuring portability of the applications which use ExaTENSOR as a numerical backend.

Liakh, Dmytro↗

NASA NTRS2000

Using Modern Design Tools for Digital Avionics Development

Using Modem Design Tools for Digital Avionics Development Shrinking development time and increased complexity of new avionics forces the designer to use modem tools and methods during hardware development. Engineers at the Marshall Space Flight Center have successfully upgraded their design flow and used it to develop a Mongoose V based radiation tolerant processor board for the International Space Station's Water Recovery System. The design flow, based on hardware description languages, simulation, synthesis, hardware models, and full functional software model libraries, allowed designers to fully simulate the processor board from reset, through initialization before any boards were built. The fidelity of a digital simulation is limited to the accuracy of the models used and how realistically the designer drives the circuit's inputs during simulation. By using the actual silicon during simulation, device modeling errors are reduced. Numerous design flaws were discovered early in the design phase when they could be easily fixed. The use of hardware models and actual MIPS software loaded into full functional memory models also provided checkout of the software development environment. This paper will describe the design flow used to develop the processor board and give examples of errors that were found using the tools. An overview of the processor board firmware will also be covered.

Hyde, David W.↗

DOE OSTI2020

GridOPTICS/GridPACK

GridPACK is a software framework consisting of a set of modules designed to simplify the development of programs that model the power grid and run on parallel, high performance computing platforms. It also contains several fully developed applications, including powerflow, dynamic simulation, state estimation, Kalman filter analysis (dynamic state estimation), contingency analysis and real time path rating. These applications can be used either standalone or as components in more complicated workflows that combine several different types of application together. The framework modules are available as a combination of libraries and software templates and consist of components for setting up and distributing power grid networks, support for modeling the behavior of individual buses and branches in the network, converting the network models to the corresponding algebraic equations, and parallel routines for manipulating and solving large algebraic systems. The framework also contains a module for distributing tasks evenly amongst computing resources, even if individual tasks vary widely in their execution times. Additional modules support input and output, basic statistical analysis of contingency based calculations, distributed data structures, as well as basic profiling and error management.

Palmer, Bruce↗

NASA NTRS2005

Grid Visualization Tool

The Grid Visualization Tool (GVT) is a computer program for displaying the path of a mobile robotic explorer (rover) on a terrain map. The GVT reads a map-data file in either portable graymap (PGM) or portable pixmap (PPM) format, representing a gray-scale or color map image, respectively. The GVT also accepts input from path-planning and activity-planning software. From these inputs, the GVT generates a map overlaid with one or more rover path(s), waypoints, locations of targets to be explored, and/or target-status information (indicating success or failure in exploring each target). The display can also indicate different types of paths or path segments, such as the path actually traveled versus a planned path or the path traveled to the present position versus planned future movement along a path. The program provides for updating of the display in real time to facilitate visualization of progress. The size of the display and the map scale can be changed as desired by the user. The GVT was written in the C++ language using the Open Graphics Library (OpenGL) software. It has been compiled for both Sun Solaris and Linux operating systems.

Chouinard, Caroline↗

DOE OSTI2025

Massively parallel phase-field simulations targeting exascale

The interface thickness in the phase-field (PF) method limits its simulation scales. Consequently, large-scale PF simulations become prohibitively expensive for resolving the extremely fine microstructures that typically form during rapid solidification processing. This challenge is significant in predicting microstructure evolution in metal additive manufacturing and has been identified by the United States Department of Energy’s Exascale Computing Project. Here, to address this, we develop a multi-GPU and MPI-based massively parallel simulation code, utilizing state-of-the-art algorithms, software, and libraries, for large-scale three-dimensional (3D) PF simulations. We report the first GPU-parallel PF simulations on Frontier (currently the second TOP500 exascale cluster) and Summit machines, taking dendritic growth as an example problem. We evaluate the parallel performance of our implementation using scaling studies with more than 24 000 GPUs (among the largest known computations to date) and the acceleration performance using large-scale simulations of dendritic growth in 3D. Finally, massively parallel GPUs in these supercomputers enabled the first coupled multiscale simulations of laser melting and subsequent dendritic solidification on the scale of a full melt-pool, demonstrating the feasibility of performing PF simulations with a point total over 2 billion grid points within an acceptable time.

Exascale↗

DOE OSTI2018

Comparative Study of Finite Element Methods Using the Time-Accuracy-Size(TAS) Spectrum Analysis

We present a performance analysis appropriate for comparing algorithms using different numerical discretizations. By taking into account the total time-to-solution, numerical accuracy with respect to an error norm, and the computation rate, a cost-benefit analysis can be performed to determine which algorithm and discretization are particularly suited for an application. This work extends the performance spectrum model in for interpretation of hardware and algorithmic tradeoffs in numerical PDE simulation. As a proof-of-concept, popular finite element software packages are used to illustrate this analysis for Poisson’s equation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

PySCL

The PySCL (Python Standard Composition Library) is a library that provides a standard and consistent method of specifying the material mixtures for a given problem. The library enables software to use standard nuclide names and convenient naturally occurring composition and elemental abundances.

Lefebvre, RobertA.↗

DOE OSTI2021

Code Artifact for: Clustering Analysis of Commercial Vehicles Using Automatically Extracted Features from Time Series Data [SWR-21-96]

This repository contains data ingestion, feature extraction, and analysis code used in NREL Technical report "Clustering Analysis of Commercial Vehicles Using Automatically Extracted Features from Time Series Data." The code is written in Python. The ETL and feature extraction code must be run in a Spark context. The analysis code can be run without Spark, provided you have pre-computed features in a CSV file. Analysis code related to the NREL Technical Report NREL/TP-2C00-74212. Includes PySpark functions to perform trip segmentation and feature extraction over big time series data in Apache Spark. Includes "domain specific" features such as Aerodynamic Speed (ft/s), Characteristic Acceleration (ft/s2), Percent Below 55 (%), Percent Zero (%), Stops Per Mile, Average Speed (mph), Maximum Speed (mph), and Speed Standard Deviation (mph). Includes Pyspark UDF to compute "domain agnostic" features using the TSFresh library. This software record also includes the analysis notebooks and code to generate the results in the previously mentioned technical report.

Perr-Sauer, Jordan↗