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At least 1,441 records · Page 80

HSE12 implementation in libxc

This piece of software is a new feature implemented inside an existing open-source library. Specifically, it is a new implementation of a density functional (HSE, short for Heyd-Scuseria-Ernzerhof) for a repository of density functionals, the libxc library. It fixes some numerical problems with existing implementations, as outlined in a scientific paper recently submitted for publication. Density functionals are components of electronic structure simulations, which model properties of electrons inside molecules and crystals.

Moussa, JonathanE.↗

Marine Corps Base Camp Lejeune Red Cockaded Woodpecker Model

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of encroachment pressures in surrounding areas, impairments due to other anthropogenic disturbances, and changes in climate and sea level. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and also optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the second 5 years of the program (DCERP2) are presented in the DCERP2 Final Report.There were four overarching objectives of DCERP2. The first objective was to understand the effects of climate change impacts, including warming temperatures, variability in the hydrological cycle, storm events, and sea level rise on the coastal ecosystems at MCBCL from observations and measurements made over the 10-year program. The second objective was to understand the carbon cycle of the coastal and terrestrial ecosystems at MCBCL through a highly integrated sampling program. The third objective was to develop models, tools, and indicators to evaluate current and projected future ecosystem state changes and translate scientific findings into actionable information for installation managers. The last objective was to recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This data package contains the files needed to run MCBCL simulations using the state-and-transition simulation model (ST-Sim) software to simulate longleaf pine landscape.

54 ENVIRONMENTAL SCIENCES↗

Highlights of X-Stack ExM Deliverable Swift/T

Swift/T is a key success from the ExM: System support for extreme-scale, many-task applications1 X-Stack project, which proposed to use concurrent dataflow as an innovative programming model to exploit extreme parallelism in exascale computers. The Swift/T component of the project reimplemented the Swift language from scratch to allow applications that compose scientific modules together to be build and run on available petascale computers (Blue Gene, Cray). Swift/T does this via a new compiler and runtime that generates and executes the application as an MPI program. We assume that mission-critical emerging exascale applications will be composed as scalable applications using existing software components, connected by data dependencies. Developers wrap native code fragments using a higherlevel language, then build composite applications to form a computational experiment. This exemplifies hierarchical concurrency: lower-level messaging libraries are used for fine-grained parallelism; highlevel control is used for inter-task coordination. These patterns are best expressed with dataflow, but static DAGs (i.e., other workflow languages) limit the applications that can be built; they do not provide the expressiveness of Swift, such as conditional execution, iteration, and recursive functions.

97 MATHEMATICS AND COMPUTING↗

Flight dynamics facility operational orbit determination support for the ocean topography experiment

The Ocean Topography Experiment (TOPEX/POSEIDON) mission is designed to determine the topography of the Earth's sea surface across a 3 yr period, beginning with launch in June 1992. The Goddard Space Flight Center Dynamics Facility has the capability to operationally receive and process Tracking and Data Relay Satellite System (TDRSS) tracking data. Because these data will be used to support orbit determination (OD) aspects of the TOPEX mission, the Dynamics Facility was designated to perform TOPEX operational OD. The scientific data require stringent OD accuracy in navigating the TOPEX spacecraft. The OD accuracy requirements fall into two categories: (1) on orbit free flight; and (2) maneuver. The maneuver OD accuracy requirements are of two types; premaneuver planning and postmaneuver evaluation. Analysis using the Orbit Determination Error Analysis System (ODEAS) covariance software has shown that, during the first postlaunch mission phase of the TOPEX mission, some postmaneuver evaluation OD accuracy requirements cannot be met. ODEAS results also show that the most difficult requirements to meet are those that determine the change in the components of velocity for postmaneuver evaluation.

Bolvin, D. T.↗

Transit Detection with a Distributed Network of Telescopes

The discovery since 1995 of more than 80 planets around nearby solar-like stars and the photometric detection of a transit of the planet orbiting HD 209458 (producing a more than 1% drop in brightness that lasts 3 hours) has heralded a new era in astronomy. It has now been demonstrated that small telescopes equipped with sensitive and stable electronic detectors can produce fundamental scientific discoveries regarding the frequency and nature of planets outside the solar system. The modest equipment requirements for the measurement of extrasolar planetary transits are achieved by commercial small aperture telescopes and CCD imagers common among amateur astronomers. With equipment already in hand and armed with target lists, observing techniques and software procedures developed b NASA's Ames Research Center and the University of California at Santa Cruz, non-professional astronomers can contribute significantly to the study of planets around others stars. Statistical analyses of the population of parent stars of the known extrasolar planets indicate that approximately one in ten metal-rich stars should harbor a short-period planet. Given the ten percent chance that a given short-period planet displays transits, we therefore expect that approximately 1% of the most metal rich stars will have a planetary companion detectable by this project. A catalog of 206 highly metal rich nearby F, G and K stars has been compiled, and this catalog will provide a rich source of targets. In addition, main sequence F, G, K and M stars identified to have "transit-like" features in the Hipparcos satellite photometry archive will also be monitored. A commercially available "amateur grade" telescope/CCD/software system acquired late during the 2001 "transit season" for HID 209458 has achieved 0.47% RMS precision for 13 minute time sampling from a suburban backyard under less than ideal observing conditions and a realistic range of airmass values.

Castellano, T.↗

Autonomous Vegetation Cover Scene Classification of EO-1 Hyperion Hyperspectral Data

The Autonomous Sciencecraft Experiment (ASE) is a JPL-led, New Millennium Program mission containing new technology in the form of software to be flown on the Earth Observer-1 (EO-1) satellite in early 2004. This new technology will facilitate an artificially intelligent machine with autonomous science-driven capabilities. Among the ASE flight software is a set of onboard science algorithms designed for autonomous data processing, primarily based on change detection from observation to observation. Using the output from these algorithms, ASE has the ability to autonomously modify the EO-1 observation plan, retargeting itself for a more in-depth observation of a scientific event in progress. Furthermore, intelligent and selective information down-linking will maximize return of the most valuable scientific data. Among the algorithms developed for use on ASE is a Lava-Vegetation (L-V) detection algorithm. This algorithm can effectively identify the initial location and extent of lava and vegetation coverage based on spectral shape. Comparison of several different observations, all classified via this algorithm, can make change detection possible.

Lee, R. J.↗

Transitsearch Workshop

The discovery of more than 100 planets around nearby solar-like stars that surpass Jupiter in size yet orbit their stars more quickly than Mercury has heralded a new era in astronomy. These enigmatic 'Hot-Jupiters' are large enough and close enough to their parent stars that their 'transits' can be captured by astronomers equipped with a small computer controlled telescope and a quality electronic CCD camera. The planet reveals its presence through the periodic decrease in brightness as it passes (or transits) in front of the star as seen from Earth. The first known transiting extrasolar planet HD 209458b, in the constellation Pegasus, has been the subject of hundreds of scientific papers since its discovery in 1999. The transit of 8th magnitude HD 209458 has been observed by at least a dozen non-professional astronomers using telescopes as small as 4 inches in aperture. Using equipment already in hand, and armed with target lists, transit time predictions, observing techniques and software procedures developed by astronomers at NASA's Ames Research Center and the University of California at Santa Cruz, non-professional astronomers can contribute significantly to the study of extrasolar planets by carefully measuring the brightness of stars with known Hot-Jupiters. In this way, we may resume (after a two century interruption!) the tradition of planetary discoveries by amateur astronomers begun with William Herschel's 1787 discovery of the 'solar' planet Uranus. In the few years transitsearch has been in existence, investigators Tim Castellano (NASA Ames) and Greg Laughlin (UCSC) have written articles for Sky and Telescope and Astronomy magazines, have been featured in stories by the Reuters News Service, Nature magazine, Science magazine, Space.com, the American Institute of Physics and others and received several hundred thousand total hits on their website www.transitsearch,org.

Castellano, T.↗

Radiometer Calibrations: Saving Time by Automating the Gathering and Analysis Procedures

Mr. Abtahi custom-designs radiometers for Mr. Hook's research group. Inherently, when the radiometers report the temperature of arbitrary surfaces, the results are affected by errors in accuracy. This problem can be reduced if the errors can be accounted for in a polynomial. This is achieved by pointing the radiometer at a constant-temperature surface. We have been using a Hartford Scientific WaterBath. The measurements from the radiometer are collected at many different temperatures and compared to the measurements made by a Hartford Chubb thermometer with a four-decimal point resolution. The data is analyzed and fit to a fifth-order polynomial. This formula is then uploaded into the radiometer software, enabling accurate data gathering. Traditionally, Mr. Abtahi has done this by hand, spending several hours of his time setting the temperature, waiting for stabilization, taking measurements, and then repeating for other temperatures. My program, written in the Python language, has enabled the data gathering and analysis process to be handed off to a less-senior member of the team. Simply by entering several initial settings, the program will simultaneously control all three instruments and organize the data suitable for computer analyses, thus giving the desired fifth-order polynomial. This will save time, allow for a more complete calibration data set, and allow for base calibrations to be developed. The program is expandable to simultaneously take any type of measurement from up to nine distinct instruments.

Sadino, Jeffrey L.↗

Data Relay Board with Protocol for High-Speed, Free-Space Optical Communications

In a free-space optical communication system, the mitigation of transient outages through the incorporation of error-control methods is of particular concern, the outages being caused by scintillation fades and obscurants. The focus of this innovative technology is the development of a data relay system for a reliable high-data-rate free-spacebased optical-transport network. The data relay boards will establish the link, maintain synchronous connection, group the data into frames, and provide for automatic retransmission (ARQ) of lost or erred frames. A certain Quality of Service (QoS) can then be ensured, compatible with the required data rate. The protocol to be used by the data relay system is based on the draft CCSDS standard data-link protocol Proximity-1, selected by orbiters to multiple lander assets in the Mars network, for example. In addition to providing data-link protocol capabilities for the free-space optical link and buffering the data, the data relay system will interface directly with user applications over Gigabit Ethernet and/or with highspeed storage resources via Fibre Channel. The hardware implementation is built on a network-processor-based architecture. This technology combines the power of a hardware switch capable of data switching and packet routing at Gbps rates, with the flexibility of a software- driven processor that can host highly adaptive and reconfigurable protocols used, for example, in wireless local-area networks (LANs). The system will be implemented in a modular multi-board fashion. The main hardware elements of the data relay system are the new data relay board developed by Rockwell Scientific, a COTS Gigabit Ethernet board for user interface, and a COTS Fibre Channel board that connects to local storage. The boards reside in a cPCI back plane, and can be housed in a VME-type enclosure.

Wright, Malcolm↗

A Microservices Architecture Toolkit for Interconnected Science Ecosystems

Microservices architecture is a promising approach for developing reusable scientific workflow capabilities for inte- grating diverse resources, such as experimental and observational instruments and advanced computational and data management systems, across many distributed organizations and facilities. In this paper, we describe how the INTERSECT Open Architec- ture leverages federated systems of microservices to construct interconnected science ecosystems, review how the INTERSECT software development kit eases microservice capability develop- ment, and demonstrate the use of such capabilities for deploying an example multi-facility INTERSECT ecosystem.

Brim, Michael↗

MueLu Multigrid Preconditioning Package

MueLu is intended for the research and development of multigrid algorithms used in the solution of sparse linear systems arising from systems of partial differential equations. The software provides multigrid source code, test programs, and short example programs to demonstrate the various interfaces for creating, accessing, and applying the solvers. MueLu currently provides an implementation of smoothed aggregation algebraic multigrid method and interfaces to many commonly used smoothers. However, the software is intended to be extensible, and new methods can be incorporated easily. MueLu also allows for advanced usage, such as combining multiple methods and segregated solves. The library supports point and block access to matrix data. All algorithms and methods in MueLu have been or will be published in the open scientific literature.

Tuminaro, Raymond↗

AutodiDAQt v1.1.0

AutodiDAQt automates and simplifies writing data acquisition software for spectroscopy and microscopy. After defining only how to communicate with instruments and hardware, autodiDAQt generates user interfaces for long running acquisition applications, handlings data collation and retention, and provides remote communication to analysis computers. This reduces the time to get experiments running from months to hours and increases reliability for scientific experiments. AutodiDAQt metaprograms from instrument drivers directly, where possible.

Stansbury, Conrad↗

Orchestration of materials science workflows for heterogeneous resources at large scale

In the era of big data, materials science workflows need to handle large-scale data distribution, storage, and computation. Any of these areas can become a performance bottleneck. We present a framework for analyzing internal material structures (e.g., cracks) to mitigate these bottlenecks. We demonstrate the effectiveness of our framework for a workflow performing synchrotron X-ray computed tomography reconstruction and segmentation of a silica-based structure. Our framework provides a cloud-based, cutting-edge solution to challenges such as growing intermediate and output data and heavy resource demands during image reconstruction and segmentation. Specifically, our framework efficiently manages data storage, scaling up compute resources on the cloud. The multi-layer software structure of our framework includes three layers. A top layer uses Jupyter notebooks and serves as the user interface. A middle layer uses Ansible for resource deployment and managing the execution environment. A low layer is dedicated to resource management and provides resource management and job scheduling on heterogeneous nodes (i.e., GPU and CPU). At the core of this layer, Kubernetes supports resource management, and Dask enables large-scale job scheduling for heterogeneous resources. The broader impact of our work is four-fold: through our framework, we hide the complexity of the cloud’s software stack to the user who otherwise is required to have expertise in cloud technologies; we manage job scheduling efficiently and in a scalable manner; we enable resource elasticity and workflow orchestration at a large scale; and we facilitate moving the study of nonporous structures, which has wide applications in engineering and scientific fields, to the cloud. While we demonstrate the capability of our framework for a specific materials science application, it can be adapted for other applications and domains because of its modular, multi-layer architecture.

97 MATHEMATICS AND COMPUTING↗

SWARM: Reimagining scientific workflow management systems in a distributed world

Modern scientific workflows process massive amounts of data from diverse instruments and sensors, leveraging geographically distributed, heterogeneous compute and storage resources—from leadership-class systems to edge devices—connected by high-performance networks. The diversity of resources introduces challenges in harnessing their full potential, with resilience issues arising across applications, system software, networks, storage, and hardware. Today, workflow management systems (WMS) coordinate the execution of computation and data management tasks across target resources. However, WMS’s centralized nature makes them vulnerable to faults and scalability issues that may result in failures of entire computational campaigns. In conclusion, this paper introduces a novel agentic framework for workflow management, fully distributing and decentralizing the WMS functions and modeling them as swarm intelligence agents infused with advanced artificial intelligence solutions and traditional distributed computing algorithms that can make coordinated decisions in the presence of failures of the underlying cyberinfrastructure.

Swarm intelligence↗

SULI Research Report Paper

The Intelligence and Space Research Group 4 (ISR-4) at the Los Alamos National Laboratory focuses on signal processing and developing space electronics for various national security missions. The Space and Atmospheric Burst Reporting System (SABRS) is a sensing payload designed for nuclear detonation detection. As the sensors from previous payloads become obsolete, the requirement for a novel payload design increases. SABRS Prime is the successor to the previous SABRS payloads and is scheduled for delivery in 2028. As part of the SABRS Prompt Gamma Instrument Interface Board, high frequency signals from silicon photomultiplier tubes need to be split and subsequently transmitted to the Analog to Digital Converter. Prior to developing the Space Grade Instrument Interface Board, evaluation modules with Commercial off-the-shelf (COTS) components are evaluated and tested under rigorous conditions. Verification of power levels and gain specifications are some of the important steps taken during the evaluation stage. Working on the Signal Splitting Board has enabled me to work with various schematic software applications and learn more about the processes behind designing space grade electronic components. In addition, I conducted research on efficiency improvements for space-based power systems. Changes in design approaches were found to be the most significant sources of improvement. Being able to interact with researchers and peers across various scientific disciplines has given me a better insight into my future pursuits. Working in a R&D environment has cemented my decision to work on space applications for Quantum Sensing and pursue a PhD in Electrical Engineering. The SULI internship program at the Los Alamos National Laboratory has helped me develop the skillset of a researcher, understand the rigorous processes behind developing space grade hardware, and improve my critical thinking abilities to support the development of reliable instrumentation for deep space missions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Visualization tools for the processing of airglow data from RAIDS

In anticipation of large data sets associated with a number of atmospheric imaging instruments being prepared for long term global coverage, NRL is developing graphical interfaces for all aspects of the program. For the first of these projects, RAIDS (the Remote Atmospheric and Ionospheric Detection System), a graphical approach to data handling, visualization, and analysis is envisioned and will set the stage for the satellites that follow. An overall system of hardware and a set of software 'tools,' that will allow for both the routine handling of all data and the analysis of large data sets assembled by scientists and instrument engineers, are currently being developed. The software for standard processing and visualization of instrument data is independent of computer platform and will allow for easy adaptation from one experiment to another. The processing will produce data sets that have similar characteristics, allowing for easy comparison of data obtained under similar circumstances. The visualization of both the engineering and scientific data is an important part of the system. By creating graphical environments for engineering evaluations and for scientific analysis data sets can be viewed and analyzed rapidly. This rapid analysis of data will contribute towards a greater portion of the RAIDS data being utilized.

Miller, Gordon J.↗

Automated Production of Movies on a Cluster of Computers

A method of accelerating and facilitating production of video and film motion-picture products, and software and generic designs of computer hardware to implement the method, are undergoing development. The method provides for automation of most of the tedious and repetitive tasks involved in editing and otherwise processing raw digitized imagery into final motion-picture products. The method was conceived to satisfy requirements, in industrial and scientific testing, for rapid processing of multiple streams of simultaneously captured raw video imagery into documentation in the form of edited video imagery and video derived data products for technical review and analysis. In the production of such video technical documentation, unlike in production of motion-picture products for entertainment, (1) it is often necessary to produce multiple video derived data products, (2) there are usually no second chances to repeat acquisition of raw imagery, (3) it is often desired to produce final products within minutes rather than hours, days, or months, and (4) consistency and quality, rather than aesthetics, are the primary criteria for judging the products. In the present method, the workflow has both serial and parallel aspects: processing can begin before all the raw imagery has been acquired, each video stream can be subjected to different stages of processing simultaneously on different computers that may be grouped into one or more cluster(s), and the final product may consist of multiple video streams. Results of processing on different computers are shared, so that workers can collaborate effectively.

Nail, Jasper↗

PixelLearn

PixelLearn is an integrated user-interface computer program for classifying pixels in scientific images. Heretofore, training a machine-learning algorithm to classify pixels in images has been tedious and difficult. PixelLearn provides a graphical user interface that makes it faster and more intuitive, leading to more interactive exploration of image data sets. PixelLearn also provides image-enhancement controls to make it easier to see subtle details in images. PixelLearn opens images or sets of images in a variety of common scientific file formats and enables the user to interact with several supervised or unsupervised machine-learning pixel-classifying algorithms while the user continues to browse through the images. The machinelearning algorithms in PixelLearn use advanced clustering and classification methods that enable accuracy much higher than is achievable by most other software previously available for this purpose. PixelLearn is written in portable C++ and runs natively on computers running Linux, Windows, or Mac OS X.

Mazzoni, Dominic↗