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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A Software Defined Storage Approach to Exascale Storage Services (Final Technical Report)

The Mochi project began in 2015 in recognition of a set of changes that were set to alter the landscape of storage and I/O for DOE science. On the one hand, an influx of new classes of applications including an initial set of data intensive and machine learning applications were operating with new types of data and in new ways, as compared to traditional computational science simulation codes. Simultaneously, new memory, storage, and networking technologies were driving a need to adapt software designs to a rapidly changing design space. The goal of the three-year Mochi project was to develop and demonstrate an approach for composing storage services which provides new levels of functionality, performance, and reliability for science applications at extreme scale. The team, including a mix of Laboratory, university, and industry collaborators, focused on systems and applications of interest to DOE Office of Science, tracking developments at NERSC and the LCFs as well as application trends within ECP and SciDAC. Technical work focused on three themes: composition (understand the building blocks needed to provide storage services that meet DOE mission needs and how these components are flexibly composed), application interfacing (what service compositions are most effective for common DOE application use cases), and consistency and synchronization (taking advantage of knowledge about, and from, the system and scientific applications to provide better service than would otherwise be possible). The project was highly successful, producing 13 publications and tens of thousands of lines of open source software that is now being used by multiple ECP teams, HPC software vendors, and international collaborators. The uptake of Mochi technologies speaks to both the value of the service composition model and the quality of architecture and software developed by the team. Through continued funding under ASCR and ECP, the Mochi team and its technologies are on track to further contribute to DOE science successes into the exascale timeframe.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

AXAF FITS standard for ray trace interchange

A standard data format for the archival and transport of x-ray events generated by ray trace models is described. Upon review and acceptance by the Advanced X-ray Astrophysics Facility (AXAF) Software Systems Working Group (SSWG), this standard shall become the official AXAF data format for ray trace events. The Flexible Image Transport System (FITS) is well suited for the purposes of the standard and was selected to be the basis of the standard. FITS is both flexible and efficient and is also widely used within the astronomical community for storage and transfer of data. In addition, software to read and write FITS format files are widely available. In selecting quantities to be included within the ray trace standard, the AXAF Mission Support team, Science Instruments team, and the other contractor teams were surveyed. From the results of this survey, the following requirements were established: (1) for the scientific needs, each photon should have associated with it: position, direction, energy, and statistical weight; the standard must also accommodate path length (relative phase), and polarization. (2) a unique photon identifier is necessary for bookkeeping purposes; (3) a log of individuals, organizations, and software packages that have modified the data must be maintained in order to create an audit trail; (4) a mechanism for extensions to the basic kernel should be provided; and (5) the ray trace standard should integrate with future AXAF data product standards.

Hsieh, Paul F.↗
DOE OSTI2015

Building a Cyberinfrastructure for Environmental System Science: Modeling Frameworks, Data Management, and Scientific Workflows, Workshop Report, Potomac, Maryland, April 30-May 1, 2015

The Environmental System Science (ESS) activity within the Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) seeks to advance a robust, predictive understanding of terrestrial environments, extending from bedrock to the top of the vegetative canopy and from molecular to global scales, through an iterative cycle of model-driven experimentation and observation dubbed MODEX. Considerable progress has been made toward achieving this overarching goal, but widely recognized is the fragmentation across projects and disciplines of the relevant modeling and simulation capabilities, observational and experimental data, analysis algorithms, and workflow tools. This fragmentation creates significant challenges for studying impacts and feedbacks in these complex multiscale systems. These challenges are further exacerbated by ongoing disruptive changes in high-performance computational architectures and the exponential growth in the types and volume of data that render obsolete the conventional approaches to software development and data management. Overcoming these challenges will require the development of a BER Climate and Environmental Sciences Division (CESD)–wide enabling cyberinfrastructure to support data management, cross-domain modeling, data analysis, and collaborative research. To explore the potential for working groups to initiate and guide a more integrated and community-based cyberinfrastructure, BER held the ESS Workshop on Model-Data Integration: Modeling Frameworks, Data Management, and Scientific Workflows on April 30-May 1, 2015, following the ESS Principal Investigator Meeting in Potomac, Maryland. Participants included model developers, software engineers, and data management specialists from eight national laboratories, which represented a wide range of projects and programs from CESD as well as cross-cutting projects from DOE’s Office of Advanced Scientific Computing Research (ASCR; both BER and ASCR are operated from within DOE’s Office of Science). A series of plenary talks provided background information and clarified the workshop’s three objectives: (1) develop requirements for this community-based cyberinfrastructure to ensure enhanced scientific productivity of the community as a whole; (2) identify challenges associated with developing this new cyberinfrastructure using a phased approach guided by project-driven use cases; and, given these requirements and challenges, (3) chart a path forward for ESS working groups to lead the phased development of the new cyberinfrastructure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

HEP Software Foundation Community White Paper Working Group - Data Analysis and Interpretation

At the heart of experimental high energy physics (HEP) is the development of facilities and instrumentation that provide sensitivity to new phenomena. Our understanding of nature at its most fundamental level is advanced through the analysis and interpretation of data from sophisticated detectors in HEP experiments. The goal of data analysis systems is to realize the maximum possible scientific potential of the data within the constraints of computing and human resources in the least time. To achieve this goal, future analysis systems should empower physicists to access the data with a high level of interactivity, reproducibility and throughput capability. As part of the HEP Software Foundation Community White Paper process, a working group on Data Analysis and Interpretation was formed to assess the challenges and opportunities in HEP data analysis and develop a roadmap for activities in this area over the next decade. In this report, the key findings and recommendations of the Data Analysis and Interpretation Working Group are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2010

NASA Tech Briefs, March 2010

Topics covered include: Software Tool Integrating Data Flow Diagrams and Petri Nets; Adaptive Nulling for Interferometric Detection of Planets; Reducing the Volume of NASA Earth-Science Data; Reception of Multiple Telemetry Signals via One Dish Antenna; Space-Qualified Traveling-Wave Tube; Smart Power Supply for Battery-Powered Systems; Parallel Processing of Broad-Band PPM Signals; Inexpensive Implementation of Many Strain Gauges; Constant-Differential-Pressure Two-Fluid Accumulator; Inflatable Tubular Structures Rigidized with Foams; Power Generator with Thermo-Differential Modules; Mechanical Extraction of Power From Ocean Currents and Tides; Nitrous Oxide/Paraffin Hybrid Rocket Engines; Optimized Li-Ion Electrolytes Containing Fluorinated Ester Co-Solvents; Probabilistic Multi-Factor Interaction Model for Complex Material Behavior; Foldable Instrumented Bits for Ultrasonic/Sonic Penetrators; Compact Rare Earth Emitter Hollow Cathode; High-Precision Shape Control of In-Space Deployable Large Membrane/Thin-Shell Reflectors; Rapid Active Sampling Package; Miniature Lightweight Ion Pump; Cryogenic Transport of High-Pressure-System Recharge Gas; Water-Vapor Raman Lidar System Reaches Higher Altitude; Compact Ku-Band T/R Module for High-Resolution Radar Imaging of Cold Land Processes; Wide-Field-of-View, High-Resolution, Stereoscopic Imager; Electrical Capacitance Volume Tomography with High-Contrast Dielectrics; Wavefront Control and Image Restoration with Less Computing; Polarization Imaging Apparatus; Stereoscopic Machine-Vision System Using Projected Circles; Metal Vapor Arcing Risk Assessment Tool; Performance Bounds on Two Concatenated, Interleaved Codes; Parameterizing Coefficients of a POD-Based Dynamical System; Confidence-Based Feature Acquisition; Algorithm for Lossless Compression of Calibrated Hyperspectral Imagery; Universal Decoder for PPM of any Order; Algorithm for Stabilizing a POD-Based Dynamical System; Mission Reliability Estimation for Repairable Robot Teams; Processing AIRS Scientific Data Through Level 3; Web-Based Requesting and Scheduling Use of Facilities; AutoGen Version 5.0; Time-Tag Generation Script; PPM Receiver Implemented in Software; Tropospheric Emission Spectrometer Product File Readers; Reporting Differences Between Spacecraft Sequence Files; Coordinating "Execute" Data for ISS and Space Shuttle; Database for Safety-Oriented Tracking of Chemicals; Apparatus for Cold, Pressurized Biogeochemical Experiments; Growing B Lymphocytes in a Three-Dimensional Culture System; Tissue-like 3D Assemblies of Human Broncho-Epithelial Cells; Isolation of Resistance-Bearing Microorganisms; Oscillating Cell Culture Bioreactor; and Liquid Cooling/Warming Garment.

Source record↗
DOE OSTI2024

Towards Sustainable Post-Exascale Leadership Computing

As computing systems approach the limits of traditional silicon technology, the diminishing returns in performance per watt present a significant barrier to sustaining growth in HPC. From a large-scale scientific supercomputing facility point of view, we propose a multifaceted strategy toward specialized hardware and architectures that are optimized for energy efficiency in specific applications. We also emphasize the need for integrating energy-aware practices across all levels of HPC, from system design and software development to operational policies. We discuss strategic opportunities such as the adoption of application-specific accelerators, the development of energy-efficient algorithms, and the implementation of data-driven operational analytics. Our goal is to develop a comprehensive roadmap ensuring that future leadership systems at OLCF can meet scientific demands while operating within stringent energy budgets, thereby supporting sustainable computing growth.

Shin, Woong↗
NASA NTRS1997

Real Time Data/Video/Voice Uplink and Downlink for Kuiper Airborne Observatory

LFS was an educational outreach adventure which brought the excitement of astronomical exploration on NASA's Kuiper Airborne Observatory (KAO) to a nationwide audience of children, parents and children through live, interactive television, broadcast from the KAO at an altitude of 41,000 feet during an actual scientific observing mission. The project encompassed three KAO flights during the fall of 1995, including a short practice mission, a daytime observing flight between Moffett Field, California to Houston, Texas, and a nighttime mission from Houston back to Moffett Field. The University of Chicago infrared research team participated in planning the program, developing auxiliary materials including background information and lesson plans, developing software which allowed students on the ground to control the telescope and on-board cameras via the Internet from the Adler Planetarium in Chicago, and acting as on-camera correspondents to explain and answer questions about the scientific research conducted during the flights.

Harper, Doyal A.↗
DOE OSTI2016

Towards performance-portability of the Albany Finite Element analysis code using the Kokkos library of Trilinos

Performance portability on heterogeneous high-performance computing (HPC) systems is a major challenge faced today by code developers: parallel code needs to execute correctly as well as with high performance on machines with different architectures, operating systems, and software libraries. The Finite Element Method (FEM) is a popular and flexible method for discretizing partial differential equations arising in a wide variety of scientific, engineering, and industry applications that require HPC. This paper presents some preliminary results pertaining to our development of a performance portable implementation of the FEM-based Albany code. Performance portability is achieved using the Kokkos library of Trilinos. We present performance results for two different physics simulations modules in Albany: the Aeras global atmosphere dynamical code and the FELIX land-ice solver. As a result, numerical experiments show that our single code implementation gives reasonable performance across two multi-core/many-core architectures: NVIDIA GPUs and multi-core CPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Portable Radiation Package (PRP) Instrument Handbook

The Portable Radiation Package (PRP) was developed to provide basic radiation information in locations such as ships at sea where proper exposure is remote and difficult, the platform is in motion, and azimuth alignment is not fixed. Development of the PRP began at Brookhaven National Laboratory (BNL) in the mid-1990s and versions of it were deployed on ships in the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s Nauru-99 project. The PRP was deployed on ships in support of the National Aeronautics and Space Administration (NASA) Sensor Intercomparison for Marine Biological and Interdisciplinary Ocean Studies (SIMBIOS) program. Over the years the measurements have remained the same while the post-processing data analysis, especially for the FRSR, has evolved. This document describes the next-generation Portable Radiation Package (PRP2) that was developed for the DOE ARM Facility, under contract no. 9F-31462 from Argonne National Laboratory (ANL). The PRP2 has the same scientific principles that were well validated in prior studies, but has upgraded electronic hardware. The PRP2 approach is completely modular, both in hardware and software. Each sensor input is treated as a separate serial stream into the data collection computer. In this way the operator has complete access to each component of the system for purposes of error checking, calibration, and maintenance. The resulting system is more reliable, easier to install in complex situations, and more amenable to upgrade.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1992

X ray observations of late-type stars using the ROSAT all-sky survey

The ROSAT mission made the first x ray survey of the entire sky using an imaging detector. Although ROSAT is a joint NASA/German project and involves direct American participation during its second phase of pointed observations, the all-sky survey remains the sole property of the German investigators. NASA grant represented the first use of ROSAT data analysis funds to support direct American participation in the ROSAT all-sky survey. The project involved a collaborative agreement between the Joint Institute for Laboratory Astrophysics (JILA) and the Max-Planck-Institut fur Extraterrestrische Physik (MPE) where JILA supplied MPE with a post-doctoral research associate with experience in the field of stellar (coronal) x ray emission to work within their ROSAT group. In return, members of the cool star research group at JILA were given the opportunity to collaborate on projects involving ROSAT all-sky survey data. Both sides have benefitted (and still benefit) from this arrangement since MPE suffers from a shortage of researchers who are interested in x ray emission from 'normal' stars and white dwarfs. MPE has also drawn upon experience in optical identification of x ray sources from the Einstein Extended Medium Sensitivity Survey in planning their own identification strategies for the ROSAT all-sky survey. The JILA cool stars group has benefitted since access to all-sky survey data has expanded the scope of their already extensive research programs involving multiwavelength observations of late-type stars. ROSAT was successfully launched on 1 June 1990 and conducted the bulk of the survey from 30 July 1990 to 25 January 1991. Data gaps in the survey have subsequently been made up. At the time of this writing (February 1992), the survey data have been processed once with the Standard Analysis Software System (SASS). A second processing will soon begin with improvements made to the SASS to correct errors and bugs found while carrying out scientific projects with data from the first processing. We outline the major research activities of Dr. Fleming over the past year (detailed accounts of his activities during the first two years of this grant can be found in the first-year and second-year status reports on this grant). Regarding the three specific projects which were proposed in the original proposal, two of them (White Dwarfs and Late M Dwarfs) are near completion. The results are described in two conference proceedings which are appended.

Linsky, Jeffrey L.↗
NASA NTRS1996

Beyond the Renderer: Software Architecture for Parallel Graphics and Visualization

As numerous implementations have demonstrated, software-based parallel rendering is an effective way to obtain the needed computational power for a variety of challenging applications in computer graphics and scientific visualization. To fully realize their potential, however, parallel renderers need to be integrated into a complete environment for generating, manipulating, and delivering visual data. We examine the structure and components of such an environment, including the programming and user interfaces, rendering engines, and image delivery systems. We consider some of the constraints imposed by real-world applications and discuss the problems and issues involved in bringing parallel rendering out of the lab and into production.

Crockett, Thomas W.↗
NASA NTRS1998

Nimbus/TOMS Science Data Operations Support

Projected goals include the following: (1) Participate in and provide analysis of laboratory and in-flight calibration of LTV sensors used for space observations of backscattered LTV radiation; (2) Provide support to the TOMS Science Operations Center, including generating instrument command lists and analysis of TOMS health and safety data; (3) Develop and maintain software and algorithms designed to capture and process raw spacecraft and instrument data, convert the instrument output into measured radiance and irradiances, and produce scientifically valid products; (4) Process the TOMS data into Level 1, Level 2, and Level 3 data products; (5) Provide analysis of the science data products in support of NASA GSFC Code 916's research.

Source record↗
NASA NTRS1998

Nimbus/TOMS Science Data Operations Support

1. Participate in and provide analysis of laboratory and in-flight calibration of UV sensors used for space observations of backscattered UV radiation. 2. Provide support to the TOMS Science Operations Center, including generating instrument command lists and analysis of TOMS health and safety data. 3. Develop and maintain software and algorithms designed to capture and process raw spacecraft and instrument data, convert the instrument output into measured radiance and irradiances, and produce scientifically valid products. 4. Process the TOMS data into Level 1, Level 2, and Level 3 data products. 5. Provide analysis of the science data products in support of NASA GSFC Code 916's research.

Childs, Jeff↗
NASA NTRS1998

Calibration of the ROSAT HRI Spectral Response

The ROSAT High Resolution Imager has a limited (2-band) spectral response. This spectral capability can give X-ray hardness ratios on spatial scales of 5 arcseconds. The spectral response of the center of the detector was calibrated before the launch of ROSAT, but the gain decreases-with time and also is a function of position on the detector. To complicate matters further, the satellite is "wobbled", possibly moving a source across several spatial gain states. These difficulties have prevented the spectral response of the ROSAT HRI from being used for scientific measurements. We have used Bright Earth data and in-flight calibration sources to map the spatial and temporal gain changes, and written software which will allow ROSAT users to generate a calibrated XSPEC response matrix and hence determine a calibrated hardness ratio. In this report, we describe the calibration procedure and show how to obtain a response matrix. In Section 2 we give an overview of the calibration procedure, in Section 3 we give a summary of HRI spatial and temporal gain variations. Section 4 describes the routines used to determine the gain distribution of a source. In Sections 5 and 6, we describe in detail how the Bright Earth database and calibration sources are used to derive a corrected response matrix for a given observation. Finally, Section 7 describes how to use the software.

Prestwich, Andrea↗
NASA NTRS2000

Calibration of the ROSAT HRI Spectral Response

The ROSAT High Resolution Imager has a limited (2-band) spectral response. This spectral capability can give X-ray hardness ratios on spatial scales of 5 arcseconds. The spectral response of the center of the detector was calibrated before the launch of ROSAT, but the gain decreases with time and also is a function of position on the detector. To complicate matters further, the satellite is 'wobbled', possibly moving a source across several spatial gain states. These difficulties have prevented the spectral response of the ROSAT High Resolution Imager (HRI) from being used for scientific measurements. We have used Bright Earth data and in-flight calibration sources to map the spatial and temporal gain changes, and written software which will allow ROSAT users to generate a calibrated XSPEC (an x ray spectral fitting package) response matrix and hence determine a calibrated hardness ratio. In this report, we describe the calibration procedure and show how to obtain a response matrix. In Section 2 we give an overview of the calibration procedure, in Section 3 we give a summary of HRI spatial and temporal gain variations. Section 4 describes the routines used to determine the gain distribution of a source. In Sections 5 and 6, we describe in detail how, the Bright Earth database and calibration sources are used to derive a corrected response matrix for a given observation. Finally, Section 7 describes how to use the software.

Prestwich, Andrea H.↗
NASA NTRS2004

Autonomous Multi-Sensor Coordination: The Science Goal Monitor

Many dramatic earth phenomena are dynamic and coupled. In order to fully understand them, we need to obtain timely coordinated multi-sensor observations from widely dispersed instruments. Such a dynamic observing system must include the ability to Schedule flexibly and react autonomously to sciencehser driven events; Understand higher-level goals of a sciencehser defined campaign; Coordinate various space-based and ground-based resources/sensors effectively and efficiently to achieve goals. In order to capture transient events, such a 'sensor web' system must have an automated reactive capability built into its scientific operations. To do this, we must overcome a number of challenges inherent in infusing autonomy. The Science Goal Monitor (SGM) is a prototype software tool being developed to explore the nature of automation necessary to enable dynamic observing. The tools being developed in SGM improve our ability to autonomously monitor multiple independent sensors and coordinate reactions to better observe dynamic phenomena. The SGM system enables users to specify what to look for and how to react in descriptive rather than technical terms. The system monitors streams of data to identify occurrences of the key events previously specified by the scientisther. When an event occurs, the system autonomously coordinates the execution of the users' desired reactions between different sensors. The information can be used to rapidly respond to a variety of fast temporal events. Investigators will no longer have to rely on after-the-fact data analysis to determine what happened. Our paper describes a series of prototype demonstrations that we have developed using SGM and NASA's Earth Observing-1 (EO-1) satellite and Earth Observing Systems' Aqua/Terra spacecrafts' MODIS instrument. Our demonstrations show the promise of coordinating data from different sources, analyzing the data for a relevant event, autonomously updating and rapidly obtaining a follow-on relevant image. SGM was used to investigate forest fires, floods and volcanic eruptions. We are now identifying new Earth science scenarios that will have more complex SGM reasoning. By developing and testing a prototype in an operational environment, we are also establishing and gathering metrics to gauge the success of automating science campaigns.

Koratkar, Anuradha↗
NASA NTRS2004

Program Analyzes Radar Altimeter Data

A computer program has been written to perform several analyses of radar altimeter data. The program was designed to improve on previous methods of analysis of altimeter engineering data by (1) facilitating and accelerating the analysis of large amounts of data in a more direct manner and (2) improving the ability to estimate performance of radar-altimeter instrumentation and provide data corrections. The data in question are openly available to the international scientific community and can be downloaded from anonymous file-transfer- protocol (FTP) locations that are accessible via links from altimetry Web sites. The software estimates noise in range measurements, estimates corrections for electromagnetic bias, and performs statistical analyses on various parameters for comparison of different altimeters. Whereas prior techniques used to perform similar analyses of altimeter range noise require comparison of data from repetitions of satellite ground tracks, the present software uses a high-pass filtering technique to obtain similar results from single satellite passes. Elimination of the requirement for repeat-track analysis facilitates the analysis of large amounts of satellite data to assess subtle variations in range noise.

Vandemark, Doug↗
DOE OSTI2024

Bridging the time scale in exascale computing of chemical systems (Final Technical Report)

This report summarizes the work carried out with support of the United States Department of Energy under Award DE-SC0019441. The theme of this project was to develop and apply methods that allowed for the acceleration of atomistic calculations, particularly in challenging areas such as multiphase systems, electrified interfaces, uncertainty estimation, and applications requiring chemical accuracy, which tend to be applications where simulation time is severely bottlenecked by the computational time requirements. Much of the focus was on the application of emerging machine-learning methodologies, although a wide range of methodologies were employed. This report has two major sections. The first focuses on the methodological advances themselves. Within this part, we report a number of major advances, a few examples of which are described here. We report the first machine-learning scheme for the acceleration of electronically grand-canonical calculations (that is, those applicable to electrochemistry). We report new methods of performing transfer learning, in which physics-based priors can be used to provide predictions, often with uncertainty estimates, of images well outside of training sets; we also offer ways to fine-tune these transfer-learning models. We provide a new systematic means to generate and apply minimal training data sets to very large (10,000’s of atoms) systems, with only small training sets appropriate for electronic structure. We developed new methodologies to integrate surface vibrations into surface adsorption calculations. We made advances to the applicability of diffusion Monte Carlo methods to allow (learned) force prediction, finite-size error correction, and force-free means of searching for transition states. We integrated machine-learned atomistic predictions into mechanism generation codes. Additionally, we released new software including AmpTorch, a modernized version of our original atomistic machine-learning code Amp. The second part of this report focuses on the scientific applications that accompanied, and were often enabled by, the methodological advances described earlier. A few examples follow, but full details are in the individual chapters of the report. For example, we developed a general theory of phonon-induced friction on molecular adsorbates. We showed fundamentally how solvent influences the adsorption and desorption process and how it differs from the processes typically involved at the solid–gas interface, making aqueous-phase and electrocatalysis different from traditional thermocatalysis. We examined how metal–insulator and magnetic transitions can be probed, and accelerated exciton dynamics via Frenkel Hamiltonian parameters. We showed that the nearsighted force-training approach, developed within this project, can predict both the stability and reactivity of large nanoparticles, and can also lead to insights on catalyst coverage on binding energies and entropies. These applied studies, which generally integrated with our method development, allowed us to push forward the theoretical understanding of several reaction classes.

08 HYDROGEN↗