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DOE OSTI2020

Summary of changes to the ENDF library [Slides]

This presentation discusses the major revisions that the TSL sublibrary is undergoing. It also discusses mass(ive) sublibrary changes, charged particle evaluations, INDEN evaluations, and the non-INDEN neutron sublibrary. The presentation concludes by stating that there are conflicts that need to be resolved and that they have enough contributions that the executive committee feels that an ENDF/B-VIII.1 release is warranted by February 2023.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Profiling the BLAST bioinformatics application for load balancing on high-performance computing clusters

Abstract Background The Basic Local Alignment Search Tool (BLAST) is a suite of commonly used algorithms for identifying matches between biological sequences. The user supplies a database file and query file of sequences for BLAST to find identical sequences between the two. The typical millions of database and query sequences make BLAST computationally challenging but also well suited for parallelization on high-performance computing clusters. The efficacy of parallelization depends on the data partitioning, where the optimal data partitioning relies on an accurate performance model. In previous studies, a BLAST job was sped up by 27 times by partitioning the database and query among thousands of processor nodes. However, the optimality of the partitioning method was not studied. Unlike BLAST performance models proposed in the literature that usually have problem size and hardware configuration as the only variables, the execution time of a BLAST job is a function of database size, query size, and hardware capability. In this work, the nucleotide BLAST application BLASTN was profiled using three methods: shell-level profiling with the Unix “time” command, code-level profiling with the built-in “profiler” module, and system-level profiling with the Unix “gprof” program. The runtimes were measured for six node types, using six different database files and 15 query files, on a heterogeneous HPC cluster with 500+ nodes. The empirical measurement data were fitted with quadratic functions to develop performance models that were used to guide the data parallelization for BLASTN jobs. Results Profiling results showed that BLASTN contains more than 34,500 different functions, but a single function, RunMTBySplitDB, takes 99.12% of the total runtime. Among its 53 child functions, five core functions were identified to make up 92.12% of the overall BLASTN runtime. Based on the performance models, static load balancing algorithms can be applied to the BLASTN input data to minimize the runtime of the longest job on an HPC cluster. Four test cases being run on homogeneous and heterogeneous clusters were tested. Experiment results showed that the runtime can be reduced by 81% on a homogeneous cluster and by 20% on a heterogeneous cluster by re-distributing the workload. Discussion Optimal data partitioning can improve BLASTN’s overall runtime 5.4-fold in comparison with dividing the database and query into the same number of fragments. The proposed methodology can be used in the other applications in the BLAST+ suite or any other application as long as source code is available.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1978

Associative programming language and virtual associative access manager

APL provides convenient associative data manipulation functions in a high level language. Six statements were added to PL/1 via a preprocessor: CREATE, INSERT, FIND, FOR EACH, REMOVE, and DELETE. They allow complete control of all data base operations. During execution, data base management programs perform the functions required to support the APL language. VAAM is the data base management system designed to support the APL language. APL/VAAM is used by CADANCE, an interactive graphic computer system. VAAM is designed to support heavily referenced files. Virtual memory files, which utilize the paging mechanism of the operating system, are used. VAAM supports a full network data structure. The two basic blocks in a VAAM file are entities and sets. Entities are the basic information element and correspond to PL/1 based structures defined by the user. Sets contain the relationship information and are implemented as arrays.

Carol Price↗

NASA NTRS1983

Computer Software Management and Information Center

Computer programs for passive anti-roll tank, earth resources laboratory applications, the NIMBUS-7 coastal zone color scanner derived products, transportable applications executive, plastic and failure analysis of composites, velocity gradient method for calculating velocities in an axisymmetric annular duct, an integrated procurement management system, data I/O PRON for the Motorola exorcisor, aerodynamic shock-layer shape, kinematic modeling, hardware library for a graphics computer, and a file archival system are documented.

Source record↗

DOE OSTI2022

MEUMAPPS (C++ Version)

Many materials, metal alloys in particular, have features on the on micrometer or nanometer scale that have a large impact on the properties of the material. These features are known as the microstructure of the material. Understanding why and how the microstructure forms in a material is of fundamental scientific interest as well as of significant technological interest. The capability to predict microstructure evolution in a material allows the intentional design of microstructures and hence the intentional design of material properties. The phase-field method is one of the leading methods for predicting microstructure evolution. One of the most significant problems for phase-field models is their computational expense. Even limited phase-field simulations can easily require thousands of CPU core-hours to complete, which significantly limits their use. This code provides both a general framework for creating scalable, GPU-accelerated phase-field model applications as well as several applications themselves. The code is capable of using hundreds of GPUs efficiently, which greatly reduces the time required to perform simulations. The code is written with an emphasis on performance portability, that is the ability for the code to run efficiently on a number of different computing architectures without modification of the source code. The performance portability of this code is primarily enabled through the use of two libraries, Kokkos (performance portable data structures and execution patterns) and heFFTe (performance portable distributed 3D fast Fourier transforms). The code consists of a core library, applications, and tests. The core library includes shared functionality between applications. This includes interfaces with fast Fourier transform (FFT) libraries such as heFFTe, data structures based on Kokkos, file input and output capabilities, and a solver for infinitesimal strain mechanical equilibrium problems. Five applications are included in the code. The flagship application is the MEUMAPPS-SS application, which implements the Kim-Kim-Suzuki phase-field model for precipitation for an arbitrary number of phases and components in a metal alloy. Five simpler applications are also included that solve the Eshelby inclusion problem, Allen-Cahn equation, the coupled Allen-Cahn and diffusion equations, and the Cahn-Hilliard equation. The code includes two applications to solve the Cahn-Hilliard equation, one with constant-step-size first-order time integration and the second with adaptive high-order time integration.

DeWitt, Stephen [Oak Ridge National Lab. (ORNL), O↗

NASA NTRS1992

Development of the FITS tools package for multiple software environments

The HEASARC is developing a package of general purpose software for analyzing data files in FITS format. This paper describes the design philosophy which makes the software both machine-independent (it runs on VAXs, Suns, and DEC-stations) and software environment-independent. Currently the software can be compiled and linked to produce IRAF tasks, or alternatively, the same source code can be used to generate stand-alone tasks using one of two implementations of a user-parameter interface library. The machine independence of the software is achieved by writing the source code in ANSI standard Fortran or C, using the machine-independent FITSIO subroutine interface for all data file I/O, and using a standard user-parameter subroutine interface for all user I/O. The latter interface is based on the Fortran IRAF Parameter File interface developed at STScI. The IRAF tasks are built by linking to the IRAF implementation of this parameter interface library. Two other implementations of this parameter interface library, which have no IRAF dependencies, are now available which can be used to generate stand-alone executable tasks. These stand-alone tasks can simply be executed from the machine operating system prompt either by supplying all the task parameters on the command line or by entering the task name after which the user will be prompted for any required parameters. A first release of this FTOOLS package is now publicly available. The currently available tasks are described, along with instructions on how to obtain a copy of the software.

Pence, W. D.↗

NASA NTRS2003

A New Modular Approach for Tightly Coupled Fluid/Structure Analysis

Static aeroelastic computations are made using a C++ executive suitable for closely coupled fluid/structure interaction studies. The fluid flow is modeled using the Euler/Navier Stokes equations and the structure is modeled using finite elements. FORTRAN based fluids and structures codes are integrated under C++ environment. The flow and structural solvers are treated as separate object files. The data flow between fluids and structures is accomplished using I/O. Results are demonstrated for transonic flow over partially flexible surface that is important for aerospace vehicles. Use of this development to accurately predict flow induced structural failure will be demonstrated.

Guruswamy, Guru↗

DOE OSTI2020

Wave and Offshore Wind Resource in the U.S. Pacific Ocean Minor Outlying Islands

Coastal environments such as islands have unique opportunities for renewable energy resources. This work explores the wave and offshore wind energy potential for the U.S. Pacific Ocean Minor Outlying Islands, including Baker Island, Howland Island, Jarvis Island, Johnston Atoll, Kingman Reef, Palmyra Atoll, and Wake Island. A numerical wave model based on WAVEWATCH III and SWAN (both are NWS / NOAA models) was developed, validated, and executed to generate a 32-year hindcast dataset suitable for resource characterization for each island. A complementary offshore wind resource characterization is provided for the same time period based on the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis v5 (ERA5). Each island has five netcdf files: 1. wave_[island]_annual_J_map.nc: the data used to generate the map of annual averaged omnidirectional wave power (J [kW/m]) 2. wave_[island]_100m_IEC: six IEC parameters at 100m isobath from 1979/01/01 to 2020/12/31, output hourly 3. wave_[island]_5km_IEC: six IEC parameters at 5km from the shoreline 1979/01/01 to 2020/12/31, output hourly 4. wind_island_100mASL_windspeed_timeseries.nc: wind speed timeseries from ERA5 at 100 m above sea level within a 60 km radius of the island (m/s) 1979/01/01 to 2010/12/31, output hourly 5. wind_island_100mASL_winddirection_timeseries.nc: wind direction timeseries from ERA5 at 100 m above sea level within a 60 km radius of the island (degrees) 1979/01/01 to 2010/12/31, output hourly

16 TIDAL AND WAVE POWER↗

DOE OSTI2018

ABRF Proteome Informatics Research Group (iPRG) 2016 Study: Inferring Proteoforms from Bottom-up Proteomics Data

This report presents the results from the 2016 ABRF Proteome Informatics Research Group (iPRG) study on proteoform inference and FDR estimation from bottom-up proteomics data. For this study, three replicate Q Exactive Orbitrap LC-MS/MS datasets were generated from each of four E. coli samples spiked with different equimolar mixtures of small recombinant proteins selected to mimic pairs of homologous proteins. Participants were given raw data and a sequence file, and asked to identify the proteins and provide estimates on the false discovery rate at the proteoform level. As part of this study, we tested a new submission system with a format validator running on a virtual private server (VPS) and allowed methods to be provided as executable R Markdown or IPython Notebooks. The task was perceived as difficult, and only eight unique submissions were received, though those who participated did well, with no one method performing best on all samples. However, none of the submissions included a complete Markdown or Notebook, even though examples were provided. Future iPRG studies need to be more successful in promoting and encouraging participation. The VPS and submission validator easily scale to much larger numbers of participants in these types of studies. The unique “ground-truth” dataset for proteoform identification generated for this study is now available to the research community, as are the server-side scripts for validating and managing submissions.

Proteomics, proteoforms, inference, false discover↗

NASA NTRS2024

Smallsat 2024 - Starling Cubesat Swarm Technology Demonstration Flight Results

The Starling swarm of four 6U CubeSats launched in July 2023 to test four key technologies to enable future swarm missions: 1) Mobile Ad-Hoc Networking (MANET) over a crosslink radio network 2) Autonomous onboard decision-making for operations 3) Optical-based absolute and relative navigation 4) Autonomous maneuver planning and execution The Starling team implemented the Better Approach to Mobile Ad-hoc Networking (B.A.T.M.A.N.) protocol to automatically manage the crosslink network of four satellites. The B.A.T.M.A.N. protocol uses a decentralized approach to managing a multi-hop mesh network of devices, in this case, a satellite swarm. The four satellites were able to successfully establish a network at multiple data rates and demonstrate file transfer and command issuance between spacecraft over the network. Starling incorporated Distributed Spacecraft Autonomy's (DSA) software to demonstrate onboard decision-making. The DSA software takes L1/L2 band GPS measurements and uses them to estimate the relative Total Electron Count (TEC) in the ionosphere. The onboard software then determines if there are any features of interest and provides that information to the other satellites over the crosslink network. The swarm of satellites then reaches a consensus on the optimal TEC observation strategy and adjusts its measurement collection tactics autonomously. The Starling Formation-Flying Optical Experiment (StarFOX), produced by Stanford's Space Rendezvous Laboratory, uses the onboard star trackers to collect images of the other swarm spacecraft and produce angles-only navigation estimates. This system is envisioned to be valuable in applications in which Global Navigation Satellite Systems (GNSS) are not available, such as in cis-lunar or deep space. StarFOX successfully applied its algorithms to multiple simultaneous spacecraft targets using the star tracker imagery. Finally, Starling used Emergent Space's Cluster Flight Application (CFA) software suite for the Reconfiguration and Orbit Maintenance Experiments Onboard (ROMEO) demonstration of autonomously planning and executing propulsive maneuvers. Large swarms will need to be able to maintain formation requirements with minimal operator involvement, especially as the size of the swarm scales up. Results from the ROMEO experiment are presented. Starling is funded by the Small Spacecraft Technology (SST) program out of NASA's Space Technology Mission Directorate (STMD).

distributed systems↗

NASA NTRS1992

Electromagnetic scattering calculations on the Intel Touchstone Delta

During the first year's operation of the Intel Touchstone Delta system, software which solves the electric field integral equations for fields scattered from arbitrarily shaped objects has been transferred to the Delta. To fully realize the Delta's resources, an out-of-core dense matrix solution algorithm that utilizes some or all of the 90 Gbyte of concurrent file system (CFS) has been used. The largest calculation completed to date computes the fields scattered from a perfectly conducting sphere modeled by 48,672 unknown functions, resulting in a complex valued dense matrix needing 37.9 Gbyte of storage. The out-of-core LU matrix factorization algorithm was executed in 8.25 h at a rate of 10.35 Gflops. Total time to complete the calculation was 19.7 h-the additional time was used to compute the 48,672 x 48,672 matrix entries, solve the system for a given excitation, and compute observable quantities. The calculation was performed in 64-b precision.

Cwik, Tom↗

NASA NTRS2014

Use of Semi-Autonomous Tools for ISS Commanding and Monitoring

As the International Space Station (ISS) has moved into a utilization phase, operations have shifted to become more ground-based with fewer mission control personnel monitoring and commanding multiple ISS systems. This shift to fewer people monitoring more systems has prompted use of semi-autonomous console tools in the ISS Mission Control Center (MCC) to help flight controllers command and monitor the ISS. These console tools perform routine operational procedures while keeping the human operator "in the loop" to monitor and intervene when off-nominal events arise. Two such tools, the Pre-positioned Load (PPL) Loader and Automatic Operators Recorder Manager (AutoORM), are used by the ISS Communications RF Onboard Networks Utilization Specialist (CRONUS) flight control position. CRONUS is responsible for simultaneously commanding and monitoring the ISS Command & Data Handling (C&DH) and Communications and Tracking (C&T) systems. PPL Loader is used to uplink small pieces of frequently changed software data tables, called PPLs, to ISS computers to support different ISS operations. In order to uplink a PPL, a data load command must be built that contains multiple user-input fields. Next, a multiple step commanding and verification procedure must be performed to enable an onboard computer for software uplink, uplink the PPL, verify the PPL has incorporated correctly, and disable the computer for software uplink. PPL Loader provides different levels of automation in both building and uplinking these commands. In its manual mode, PPL Loader automatically builds the PPL data load commands but allows the flight controller to verify and save the commands for future uplink. In its auto mode, PPL Loader automatically builds the PPL data load commands for flight controller verification, but automatically performs the PPL uplink procedure by sending commands and performing verification checks while notifying CRONUS of procedure step completion. If an off-nominal condition occurs during procedure execution, PPL Loader notifies CRONUS through popup messages, allowing CRONUS to examine the situation and choose an option of how PPL loader should proceed with the procedure. The use of PPL Loader to perform frequent, routine PPL uplinks offloads CRONUS to better monitor two ISS systems. It also reduces procedure performance time and decreases risk of command errors. AutoORM identifies ISS communication outage periods and builds commands to lock, playback, and unlock ISS Operations Recorder files. Operation Recorder files are circular buffer files of continually recorded ISS telemetry data. Sections of these files can be locked from further writing, be played back to capture telemetry data that occurred during an ISS loss of signal (LOS) period, and then be unlocked for future recording use. Downlinked Operation Recorder files are used by mission support teams for data analysis, especially if failures occur during LOS. The commands to lock, playback, and unlock Operations Recorder files are encompassed in three different operational procedures and contain multiple user-input fields. AutoORM provides different levels of automation for building and uplinking the commands to lock, playback, and unlock Operations Recorder files. In its automatic mode, AutoORM automatically detects ISS LOS periods, then generates and uplinks the commands to lock, playback, and unlock Operations Recorder files when MCC regains signal with ISS. AutoORM also features semi-autonomous and manual modes which integrate CRONUS more into the command verification and uplink process. AutoORMs ability to automatically detect ISS LOS periods and build the necessary commands to preserve, playback, and release recorded telemetry data greatly offloads CRONUS to perform more high-level cognitive tasks, such as mission planning and anomaly troubleshooting. Additionally, since Operations Recorder commands contain numerical time input fields which are tedious for a human to manually build, AutoORM's ability to automatically build commands reduces operational command errors. PPL Loader and AutoORM demonstrate principles of semi-autonomous operational tools that will benefit future space mission operations. Both tools employ different levels of automation to perform simple and routine procedures, thereby offloading human operators to perform higher-level cognitive tasks. Because both tools provide procedure execution status and highlight off-nominal indications, the flight controller is able to intervene during procedure execution if needed. Semi-autonomous tools and systems that can perform routine procedures, yet keep human operators informed of execution, will be essential in future long-duration missions where the onboard crew will be solely responsible for spacecraft monitoring and control.

Brzezinski, Amy S.↗

NASA NTRS1978

Formulation of consumables management models, executive summary

Future manned space programs that have increased launch frequencies and reusable systems require an implementation of new consumables and systems management techniques that relieve both the operations support personnel and flight crew activities. Analytical models and techniques were developed which consist of a Mission Planning Processor (MPP) with appropriate consumables data base, methods of recognizing potential constraint violations in both the planning and flight operations functions, and flight data files for storage/retrieval of information over extended periods interfacing with flight operations processors for monitoring of the actual flights. Consumables subsystems considered in the MPP were electrical power, environmental control and life support, propulsion, hydraulics and auxiliary power.

Torian, J. G.↗

NASA NTRS1972

A translator and simulator for the Burroughs D machine

The D Machine is described as a small user microprogrammable computer designed to be a versatile building block for such diverse functions as: disk file controllers, I/O controllers, and emulators. TRANSLANG is an ALGOL-like language, which allows D Machine users to write microprograms in an English-like format as opposed to creating binary bit pattern maps. The TRANSLANG translator parses TRANSLANG programs into D Machine microinstruction bit patterns which can be executed on the D Machine simulator. In addition to simulation and translation, the two programs also offer several debugging tools, such as: a full set of diagnostic error messages, register dumps, simulated memory dumps, traces on instructions and groups of instructions, and breakpoints.

Roberts, J.↗

NASA NTRS2003

Exploration of Advanced Probabilistic and Stochastic Design Methods

The primary objective of the three year research effort was to explore advanced, non-deterministic aerospace system design methods that may have relevance to designers and analysts. The research pursued emerging areas in design methodology and leverage current fundamental research in the area of design decision-making, probabilistic modeling, and optimization. The specific focus of the three year investigation was oriented toward methods to identify and analyze emerging aircraft technologies in a consistent and complete manner, and to explore means to make optimal decisions based on this knowledge in a probabilistic environment. The research efforts were classified into two main areas. First, Task A of the grant has had the objective of conducting research into the relative merits of possible approaches that account for both multiple criteria and uncertainty in design decision-making. In particular, in the final year of research, the focus was on the comparison and contrasting between three methods researched. Specifically, these three are the Joint Probabilistic Decision-Making (JPDM) technique, Physical Programming, and Dempster-Shafer (D-S) theory. The next element of the research, as contained in Task B, was focused upon exploration of the Technology Identification, Evaluation, and Selection (TIES) methodology developed at ASDL, especially with regards to identification of research needs in the baseline method through implementation exercises. The end result of Task B was the documentation of the evolution of the method with time and a technology transfer to the sponsor regarding the method, such that an initial capability for execution could be obtained by the sponsor. Specifically, the results of year 3 efforts were the creation of a detailed tutorial for implementing the TIES method. Within the tutorial package, templates and detailed examples were created for learning and understanding the details of each step. For both research tasks, sample files and tutorials are attached in electronic form with the enclosed CD.

Marvis, Dimitri N.↗

NASA NTRS2003

Exploration of Advanced Probabilistic and Stochastic Design Methods

Mavris, Dimitri N.↗

NASA NTRS1985

Automatically-Programed Machine Tools

Software produces cutter location files for numerically-controlled machine tools. APT, acronym for Automatically Programed Tools, is among most widely used software systems for computerized machine tools. APT developed for explicit purpose of providing effective software system for programing NC machine tools. APT system includes specification of APT programing language and language processor, which executes APT statements and generates NC machine-tool motions specified by APT statements.

Purves, L.↗

NASA NTRS1989

An English language interface for constrained domains

The Multi-Satellite Operations Control Center (MSOCC) Jargon Interpreter (MJI) demonstrates an English language interface for a constrained domain. A constrained domain is defined as one with a small and well delineated set of actions and objects. The set of actions chosen for the MJI is from the domain of MSOCC Applications Executive (MAE) Systems Test and Operations Language (STOL) directives and contains directives for signing a cathode ray tube (CRT) on or off, calling up or clearing a display page, starting or stopping a procedure, and controlling history recording. The set of objects chosen consists of CRTs, display pages, STOL procedures, and history files. Translation from English sentences to STOL directives is done in two phases. In the first phase, an augmented transition net (ATN) parser and dictionary are used for determining grammatically correct parsings of input sentences. In the second phase, grammatically typed sentences are submitted to a forward-chaining rule-based system for interpretation and translation into equivalent MAE STOL directives. Tests of the MJI show that it is able to translate individual clearly stated sentences into the subset of directives selected for the prototype. This approach to an English language interface may be used for similarly constrained situations by modifying the MJI's dictionary and rules to reflect the change of domain.

Page, Brenda J.↗