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All sources NASA NTRS DOE OSTI

NASA NTRS2011

Performance Evaluation of Block Acquisition and Tracking Algorithms Using an Open Source GPS Receiver Platform

Location technologies have many applications in wireless communications, military and space missions, etc. US Global Positioning System (GPS) and other existing and emerging Global Navigation Satellite Systems (GNSS) are expected to provide accurate location information to enable such applications. While GNSS systems perform very well in strong signal conditions, their operation in many urban, indoor, and space applications is not robust or even impossible due to weak signals and strong distortions. The search for less costly, faster and more sensitive receivers is still in progress. As the research community addresses more and more complicated phenomena there exists a demand on flexible multimode reference receivers, associated SDKs, and development platforms which may accelerate and facilitate the research. One of such concepts is the software GPS/GNSS receiver (GPS SDR) which permits a facilitated access to algorithmic libraries and a possibility to integrate more advanced algorithms without hardware and essential software updates. The GNU-SDR and GPS-SDR open source receiver platforms are such popular examples. This paper evaluates the performance of recently proposed block-corelator techniques for acquisition and tracking of GPS signals using open source GPS-SDR platform.

Ramachandran, Ganesh K.↗

NASA NTRS1986

Parallel processors and nonlinear structural dynamics algorithms and software

A nonlinear structural dynamics program with an element library that exploits parallel processing is under development. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program. As a byproduct an automatic scheme for assigning time steps was devised. A rudimentary form of the program is complete and has been tested; it shows substantial advantage can be taken of parallelism. In addition, a stability proof for the subcycling algorithm has been developed.

Belytschko, T.↗

NASA NTRS2000

Level 1 Processing of MODIS Direct Broadcast Data From Terra

In February 2000, an effort was begun to adapt the Moderate Resolution Imaging Spectroradiometer (MODIS) Level 1 production software to process direct broadcast data. Three Level 1 algorithms have been adapted and packaged for release: Level 1A converts raw (level 0) data into Hierarchical Data Format (HDF), unpacking packets into scans; Geolocation computes geographic information for the data points in the Level 1A; and the Level 1B computes geolocated, calibrated radiances from the Level 1A and Geolocation products. One useful aspect of adapting the production software is the ability to incorporate enhancements contributed by the MODIS Science Team. We have therefore tried to limit changes to the software. However, in order to process the data immediately on receipt, we have taken advantage of a branch in the geolocation software that reads orbit and altitude information from the packets themselves, rather than external ancillary files used in standard production. We have also verified that the algorithms can be run with smaller time increments (2.5 minutes) than the five-minute increments used in production. To make the code easier to build and run, we have simplified directories and build scripts. Also, dependencies on a commercial numerics library have been replaced by public domain software. A version of the adapted code has been released for Silicon Graphics machines running lrix. Perhaps owing to its origin in production, the software is rather CPU-intensive. Consequently, a port to Linux is underway, followed by a version to run on PC clusters, with an eventual goal of running in near-real-time (i.e., process a ten-minute pass in ten minutes).

Lynnes, Christopher↗

NASA NTRS2017

Launch Control System Software Development System Automation Testing

The Spaceport Command and Control System (SCCS) is the National Aeronautics and Space Administration's (NASA) launch control system for the Orion capsule and Space Launch System, the next generation manned rocket currently in development. This system requires high quality testing that will measure and test the capabilities of the system. For the past two years, the Exploration and Operations Division at Kennedy Space Center (KSC) has assigned a group including interns and full-time engineers to develop automated tests to save the project time and money. The team worked on automating the testing process for the SCCS GUI that would use streamed simulated data from the testing servers to produce data, plots, statuses, etc. to the GUI. The software used to develop automated tests included an automated testing framework and an automation library. The automated testing framework has a tabular-style syntax, which means the functionality of a line of code must have the appropriate number of tabs for the line to function as intended. The header section contains either paths to custom resources or the names of libraries being used. The automation library contains functionality to automate anything that appears on a desired screen with the use of image recognition software to detect and control GUI components. The data section contains any data values strictly created for the current testing file. The body section holds the tests that are being run. The function section can include any number of functions that may be used by the current testing file or any other file that resources it. The resources and body section are required for all test files; the data and function sections can be left empty if the data values and functions being used are from a resourced library or another file. To help equip the automation team with better tools, the Project Lead of the Automated Testing Team, Jason Kapusta, assigned the task to install and train an optical character recognition (OCR) tool to Brandon Echols, a fellow intern, and I. The purpose of the OCR tool is to analyze an image and find the coordinates of any group of text. Some issues that arose while installing the OCR tool included the absence of certain libraries needed to train the tool and an outdated software version. We eventually resolved the issues and successfully installed the OCR tool. Training the tool required many images and different fonts and sizes, but in the end the tool learned to accurately decipher the text in the images and their coordinates. The OCR tool produced a file that contained significant metadata for each section of text, but only the text and coordinates of the text was required for our purpose. The team made a script to parse the information we wanted from the OCR file to a different file that would be used by automation functions within the automated framework. Since a majority of development and testing for the automated test cases for the GUI in question has been done using live simulated data on the workstations at the Launch Control Center (LCC), a large amount of progress has been made. As of this writing, about 60% of all of automated testing has been implemented. Additionally, the OCR tool will help make our automated tests more robust due to the tool's text recognition being highly scalable to different text fonts and text sizes. Soon we will have the whole test system automated, allowing for more full-time engineers working on development projects.

Automation↗

DOE OSTI2020

SpackDev: Multi-Package Development with Spack

High Energy Physics (HEP) software environments often involve ~ hundreds of external packages and libraries, and similar numbers of experiment-specific, science-critical packages—many under continuous development. Managing coherent releases of the external software stack is challenging enough, but managing the highly-collaborative—and distributed—development of a large body of code against such a stack adds even more complexity and room for error. Spack is a popular Python-based package management tool with a specific focus on the needs of High Performance Computing (HPC) systems and system administrators whose strength is orchestrating the discrete download, build, testing, and installation of pre-packaged or tagged third-party software against similarly stable dependencies. As such it is becoming increasingly popular within HEP as that community makes increasing use of HPC facilities, and as efforts to develop future HPC systems utilize Spack to provide scientific software on those platforms. SpackDev is a system to facilitate the simultaneous development of interconnected sets of packages. Intended to handle packages without restriction to one internal build system, SpackDev is integrated with Spack as a command extension in order to leverage features such as dependency calculations and build system configuration, and is generally applicable outside HEP. We describe SpackDev’s features and development over the last two years, initial experience using SpackDev in the context of the LArSoft liquid argon detector toolkit, and work remaining before it can be considered a fully-functional multi-package build system for HEP experiments utilizing Spack.

Green, Chris↗

NASA NTRSDate not supplied

Testing and Application of Commercial Thermodynamics Software for Solid-Gas Equilibria in Planetary Science Applications

The ability to calculate chemical equilibria from thermochemical constants (e.g., H, S, Cp) or other experimental data is a tool widely employed by scientists. However, phase equilibria for planetary science problems is limited by easy access to libraries of thermochemical data, as well as the software to invert that data. Many academic software packages are focused on specific types of problems (e.g., aqueous solutions or melting and crystallization of magmas). This focus makes them excellent tools for specific uses, but poorer tools for other scenarios, especially those involving elements or chemical species that are less well-studied in that specific scientific field (e.g. NaCl vapor). Amongst the more general thermodynamic software tools, there are closed academic software packages, open-source options, as well as commercial software. We have explored the extent to which commercial chemistry/chemical engineering software may be able to satisfy the need for thermochemical modeling packages that can accommodate the diverse species and conditions of planetary science problems. Here we compare the output of software package HSC Chemistry™ (Metso Outotec) to published vapor-solid phase diagrams for a variety of major and minor elements. HSC Chemistry™ has been used in several recent geochemical studies of terrestrial volcanic systems [2- 4]. However, it has not to our knowledge been benchmarked against peer-reviewed model results for the conditions and compositions relevant to planetary science. We present one such comparison here, the low- pressure environment of the solar nebula, using literature data. In short, we find excellent agreement between HSC Chemistry™ and the well-regarded academic software package CONDOR. These preliminary results suggest that at least some commercial software packages are capable of robust thermochemical calculations for planetary science.

planetary science↗

DOE OSTI2019

XScan: An Integrated Tool for Understanding Open Source Community-Based Scientific Code

Many scientific communities have adopted community-based models that integrate multiple components to simulate whole system dynamics. The community software projects’ complexity, stems from the integration of multiple individual software components that were developed under different application requirements and various machine architectures, has become a challenge for effective software system understanding and continuous software development. The paper presents an integrated software toolkit called X-ray Software Scanner (in abbreviation, XScan) for a better understanding of large-scale community-based scientific codes. Our software tool provides support to quickly summarize the overall information of scientific codes, including the number of lines of code, programming languages, external library dependencies, as well as architecture-dependent parallel software features. The XScan toolkit also realizes a static software analysis component to collect detailed structural information and provides an interactive visualization and analysis of the functions. We use a large-scale community-based Earth System Model to demonstrate the workflow, functions and visualization of the toolkit. We also discuss the application of advanced graph analytics techniques to assist software modular design and component refactoring.

Zheng, Weijian↗

DOE OSTI2021

The Kokkos EcoSystem: Comprehensive Performance Portability For High Performance Computing

State of the art Engineering and Science codes have grown in complexity dramatically over the last two decades. As a consequence application teams have adopted more sophisticated development strategies, leveraging third party libraries, deploying comprehensive testing and using advanced debugging and profiling tools. In todays environment of diverse hardware platforms, these applications also desire performance portability - avoiding the need to duplicate work for various platforms - which makes it necessary that these tools and libraries also work across the various systems. The Kokkos EcoSystem provides that portable software stack. Based on the Kokkos Core Programming Model, the EcoSystem provides math libraries, interoperability capabilities with Python and Fortran, and Tools for analysing, debugging, and optimizing applications. In this paper we will provide an overview of the components, discuss some specific use cases, and highlight how co-designing these components enables a more developer friendly experience.

42 ENGINEERING↗

NASA NTRS2011

MicroShell Minimalist Shell for Xilinx Microprocessors

MicroShell is a lightweight shell environment for engineers and software developers working with embedded microprocessors in Xilinx FPGAs. (MicroShell has also been successfully ported to run on ARM Cortex-M1 microprocessors in Actel ProASIC3 FPGAs, but without project-integration support.) Micro Shell decreases the time spent performing initial tests of field-programmable gate array (FPGA) designs, simplifies running customizable one-time-only experiments, and provides a familiar-feeling command-line interface. The program comes with a collection of useful functions and enables the designer to add an unlimited number of custom commands, which are callable from the command-line. The commands are parameterizable (using the C-based command-line parameter idiom), so the designer can use one function to exercise hardware with different values. Also, since many hardware peripherals instantiated in FPGAs have reasonably simple register-mapped I/O interfaces, the engineer can edit and view hardware parameter settings at any time without stopping the processor. MicroShell comes with a set of support scripts that interface seamlessly with Xilinx's EDK tool. Adding an instance of MicroShell to a project is as simple as marking a check box in a library configuration dialog box and specifying a software project directory. The support scripts then examine the hardware design, build design-specific functions, conditionally include processor-specific functions, and complete the compilation process. For code-size constrained designs, most of the stock functionality can be excluded from the compiled library. When all of the configurable options are removed from the binary, MicroShell has an unoptimized memory footprint of about 4.8 kB and a size-optimized footprint of about 2.3 kB. Since MicroShell allows unfettered access to all processor-accessible memory locations, it is possible to perform live patching on a running system. This can be useful, for instance, if a bug is discovered in a routine but the system cannot be rebooted: Shell allows a skilled operator to directly edit the binary executable in memory. With some forethought, MicroShell code can be located in a different memory location from custom code, permitting the custom functionality to be overwritten at any time without stopping the controlling shell.

Werne, Thomas A.↗

DOE OSTI2019

Performance tuning of CEED software and 1st and 2nd wave apps

The goal of this milestone was the performance tuning of the CEED software, as well as the use and tuning of CEED to accelerate the first and second wave of targeted ECP applications. In this milestone, the CEED team developed optimization techniques and tuned for performance the CEED software to accelerate the first and second wave target ECP applications. Specifically, the focus was on the following: (1) Efficient use of the memory sub-system for managing data motion and interactions among different physics packages and libraries; this included integration of the new developments in a libCEED 0.5 software release; (2) Enhancing the CEED libraries with GPU and AMD GPU support in close interaction with vendors; (3) Optimal data locality and motion, and enhanced scalability and parallelism; this included vendors interactions for improvements in data motion and making strong scaling easier and more efficient; and (4) Continue boosting performance for the first-wave and second-wave of ECP target applications, including ExaSMR, ExaWind, Urban, MARBL, E3SM, and ExaAM. A main part of this milestone was the performance tuning of the CEED first-wave and second-wave ECP applications. This included the ExaSMR application – Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small Modular Reactors (ORNL), the MARBL application – Next-Gen Multi-physics Simulation Code (LLNL), and the ExaAM ExaConstit – a miniapp for the Transforming Additive Manufacturing through Exascale Simulation applications project (ExaAM), as well as ExaWind, Urban, and E3SM. The artifacts delivered include performance improvements in CEED’s 1st and 2nd wave of applications, and tuned CEED software for various architectures through a number of backends, freely available in the CEED’s repository on GitHub. See the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed for more details. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q4 of FY19 including: CEED’s third annual meeting, MFEM GPU kernels scaling improvements, libCEED 0.5 and NekRS releases, an overview paper covering latest results on a set of bake-off high-order finite element problems (BPs), and other outreach efforts.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

A Genetic Toolbox for Modulating the Expression of Heterologous Genes in the Cyanobacterium Synechocystis sp. PCC 6803

Cyanobacteria, genetic models for photosynthesis research for decades, have recently become attractive hosts for producing renewable fuels and chemicals, owing to their genetic tractability, relatively fast growth, and their ability to utilize sunlight, fix carbon dioxide, and in some cases, fix nitrogen. Despite significant advances, there is still an urgent demand for synthetic biology tools in order to effectively manipulate genetic circuits in cyanobacteria. In this study, we have compared a total of 17 natural and chimeric promoters, focusing on expression of the ethylene-forming enzyme (EFE) in the cyanobacterium Synechocystis sp. PCC 6803. We report the finding that the E. coli σ 70 promoter Ptrc is superior compared to the previously reported strong promoters, such as PcpcB and PpsbA, for the expression of EFE. In addition, we found that the EFE expression level was very sensitive to the 5'-untranslated region upstream of the open reading frame. A library of ribosome binding sites (RBSs) was rationally designed and was built and systematically characterized. We demonstrate a strategy complementary to the RBS prediction software to facilitate the rational design of an RBS library to optimize the gene expression in cyanobacteria. Our results show that the EFE expression level is dramatically enhanced through these synthetic biology tools and is no longer the rate-limiting step for cyanobacterial ethylene production. Furthermore, these systematically characterized promoters and the RBS design strategy can serve as useful tools to tune gene expression levels and to identify and mitigate metabolic bottlenecks in cyanobacteria.

09 BIOMASS FUELS↗

NASA NTRS1987

Automating the parallel processing of fluid and structural dynamics calculations

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilities to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Arpasi, Dale J.↗

NASA NTRS1987

Automating the parallel processing of fluid and structural dynamics calculations

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilties to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Arpasi, Dale J.↗

DOE OSTI2022

Upgrade of Gamma Spectrometry Systems for ORNL TRISO Fuel PIE

Gamma spectrometry is a key element in much of the post-irradiation examination (PIE) work performed under the Advanced Gas Reactor Fuel Development and Qualification (AGR) Program (Demkowicz et al. 2015; Stempien et al. 2021). Gamma spectrometers are integrated into three major capabilities used at the Oak Ridge National Laboratory (ORNL) Irradiated Fuels Examination Laboratory (IFEL) for PIE of tristructural-isotropic (TRISO) coated particles and fuel compacts: the Core Conduction Cooldown Test Facility (CCCTF), the Vertical Counting System (VCS), and the Irradiated Microsphere Gamma Analyzer (IMGA). The CCCTF includes liquid-nitrogen-cooled traps to extract 85 Kr out of the He sweep gas that passes through the furnace in which the fuel compacts are heated during safety testing. Analysis of the 85 Kr activity in the traps is the primary indicator for TRISO failure during safety testing. The VCS is a system used to accurately measure gamma emission from components placed in a lead-shielded chamber. It is used to count the CCCTF deposition cups after removal from furnace. Each cup resides in the CCCTF furnace for typically 12–24 h and is periodically replaced with a fresh cup throughout the safety test. Metallic fission products collect on the water-cooled cups and several gamma-emitting isotopes ( 110 mAg, 134 Cs, 137 Cs, 154 Eu, and 155 Eu) are often measured and provide indication of the retention performance of the TRISO coatings. The VCS is also used to measure the presence of these isotopes on the CCCTF tantalum liner and sweep gas inlet tube for the determination of cup collection efficiency, as well as support other gamma spectrometry needs related to calibration of the 85 Kr fission gas traps and various other special PIE tasks. The IMGA uses gamma spectrometry to measure the inventory of gamma-emitting isotopes in individual TRISO particles. An automated particle handling system within the IMGA hot cell removes each particle from a source vial and positions it in front of a gamma detector, and output from the gamma spectrometer is used by the IMGA software to determine a destination vial such that particles are sorted according to their inventory and retention characteristics. At the conclusion of the AGR-1 and AGR-2 PIE campaigns, the gamma spectrometer systems used at ORNL to support that PIE had reached the end of its life cycle due to gradual obsolescence of the hardware and software. Upgrade of the Canberra Genie 2000 software used by these systems to a Windows 10 version was not a viable option, because the newest Windows 10 version offered by Mirion (the new owner of the Canberra technology) did not include the dynamic-link libraries (DLLs) needed for integration with the custom PIE software used with the CCCTF and IMGA, and Mirion had no current plans for development and release of Windows 10 versions of these DLLs with the Model S560 Genie 2000 Programming Library. Ultimately a switch was made to ORTEC gamma spectrometry systems, which appeared to be a more sustainable solution due to more proactive vendor support. The ORTEC conversion involved replacing the aging detector preamplifier and multichannel analyzer (MCA) hardware, upgrading the obsolete Windows 7 computers to Windows 10 compatible models, adopting ORTEC GammaVision software, and extensive modification of the ORNL-developed Visual Basic .NET (VB.NET) programs that provide the CCCTF and IMGA user interfaces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

ChatHPC: Building the Foundations for a Productive and Trustworthy AI-Assisted HPC Ecosystem

ChatHPC democratizes large language models for the high-performance computing (HPC) community by providing the infrastructure, ecosystem, and knowledge needed to apply modern generative AI technologies to rapidly create specific capabilities for critical HPC components while using relatively modest computational resources. Our divide-and-conquer approach focuses on creating a collection of reliable, highly specialized, and optimized AI assistants for HPC based on the cost-effective and fast Code Llama fine-tuning processes and expert supervision. We target major components of the HPC software stack, including programming models, runtimes, I/O, tooling, and math libraries. Thanks to AI, ChatHPC provides a more productive HPC ecosystem by boosting important tasks related to portability, parallelization, optimization, scalability, and instrumentation, among others. With relatively small datasets (on the order of KB), the AI assistants, which are created in a few minutes by using one node with two NVIDIA H100 GPUs and the ChatHPC library, can create new capabilities with Meta’s 7-billion parameter Code Llama base model to produce high-quality software with a level of trustworthiness of up to 90% higher than the 1.8-trillion parameter OpenAI ChatGPT-4o model for critical programming tasks in the HPC software stack.

Young, Aaron [ORNL] (ORCID:0000000254484667)↗

NASA NTRS2005

Space Physics Data Facility Web Services

The Space Physics Data Facility (SPDF) Web services provides a distributed programming interface to a portion of the SPDF software. (A general description of Web services is available at http://www.w3.org/ and in many current software-engineering texts and articles focused on distributed programming.) The SPDF Web services distributed programming interface enables additional collaboration and integration of the SPDF software system with other software systems, in furtherance of the SPDF mission to lead collaborative efforts in the collection and utilization of space physics data and mathematical models. This programming interface conforms to all applicable Web services specifications of the World Wide Web Consortium. The interface is specified by a Web Services Description Language (WSDL) file. The SPDF Web services software consists of the following components: 1) A server program for implementation of the Web services; and 2) A software developer s kit that consists of a WSDL file, a less formal description of the interface, a Java class library (which further eases development of Java-based client software), and Java source code for an example client program that illustrates the use of the interface.

Candey, Robert M.↗

DOE OSTI2017

A General Sparse Tensor Framework for Electronic Structure Theory

Linear-scaling algorithms must be developed in order to extend the domain of applicability of electronic structure theory to molecules of any desired size. But, the increasing complexity of modern linear-scaling methods makes code development and maintenance a significant challenge. A major contributor to this difficulty is the lack of robust software abstractions for handling block-sparse tensor operations. We therefore report the development of a highly efficient symbolic block-sparse tensor library in order to provide access to high-level software constructs to treat such problems. Our implementation supports arbitrary multi-dimensional sparsity in all input and output tensors. We then avoid cumbersome machine-generated code by implementing all functionality as a high-level symbolic C++ language library and demonstrate that our implementation attains very high performance for linear-scaling sparse tensor contractions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1983

Large-Scale Software Management System

Changes are organized and controlled according to consistent procedures. System contains two sets of libraries: baseline and development. Library is hierarchial catalog and file structure in which catalog levels and entries identify and delineate software components and functions within components. Especially suited to "multi-flow" environment, in which there is more than one version of each software module

Kirkland, G. L.↗