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At least 1,027 records · Page 57

pyEGAF: An open-source Python library for the Evaluated Gamma-ray Activation File

The Evaluated Gamma-ray Activation File (EGAF) is one of the most comprehensive resources for thermal neutron-capture data. This database contains data from prompt gamma activation analysis measurements carried out in a consistent manner using the same experimental configuration at the Budapest Research Reactor for 245 isotopes. Although these valuable datasets have been freely available for many years, one of the drawbacks is the outdated and cryptic Evaluated Nuclear Structure Data File (ENSDF) format that is currently adopted for dissemination, making it difficult for users unfamiliar with the format to access and utilize the data contained therein. Furthermore, the ENSDF format does not readily lend itself to modern computational technologies and a parser is required to interpret the complicated mixed-record format. To help overcome these challenges, we have developed a translator to convert the ENSDF-formatted datasets into an open standard JavaScript Object Notation (JSON) format enabling accessibility to applications using different programming languages running in different environments. To compliment this effort, we have also developed an open-source software package implemented in Python, pyEGAF, that is designed to interact with the JSON data structures for general purpose access, manipulation, and analysis of the neutron-capture $\gamma$-ray data in EGAF. The new format, together with the pyEGAF library, greatly enhances access to the wider applications community where EGAF data may be useful or is required.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Arion

Arion is a library and tool set that enables researchers to holistically define test system models. To define a complex system for testing an algorithm or control requires expertise across multiple domains. Simulating a complex system requires the integration of multiple simulators and test hardware, each with their own specification languages and concepts. This requires extensive set of knowledge and capabilities. Arion was developed to alleviate this challenge. Arion is a library of Java libraries that abstracts the concepts from supported simulators into a cohesive model language that allows someone to build models to their needed level of fidelity and expertise. Arion is also a software tool that translates the users model back into the specification languages of the simulators and test hardware needed for execution.

Fisher, Andy↗

Bindee

Bindee is a clang tool that outputs a simple pybind11 template given a C++ file for efficient generation of C++-Python bindings. Bindee is intended to be a helper tool for minimizing initial user effort and safeguarding against common runtime errors. Bindee relies on two open-source software to produce bindings. Clang's LibTooling enables bindee to traverse a C++ file's AST to pick out bindable variables and functions, or "bindees." PyBind11 is templated, header-only library for generating C++-Python bindings for variables and functions. Operating purely in C++, bindee does not require learning any new API for accomplishing its task. Additionally, picking the correct pybind11 API for a given bindable element is handled without interaction from the user. Any user input is denoted by '@TEXT@' string substitution. Bindee is capable of generating modular bindings for public class methods, public class variables, enumerations, and free functions and variables. Bindings for templates are also supported. For those familiar with pybind11, bindee does not handle trampolines, C++ extensions through lambdas, or custom type casters.

Kimkno, JasonS.↗

BDEM (Discrete-element-simulator for high-solids granular flows) [SWR-22-72]

BDEM is a discrete element method based simulation tool developed specifically for modeling high-solids granular flows that include polydispersity, heat-transfer, moving boundaries and chemistry. Our solver provides facilities for simulating spherical/non-spherical particles with modified contact and friction models in complex dynamic geometries defined using level-sets or triangulated files. The solver is developed on top of NREL's open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Simulations at the scale of several millions to billion particles have been performed using this software on large scale computing resources. This software can be applied to non-reacting solids dominant flows in silos, hoppers and screw conveyors as well as in high temperature reacting systems such as screw kilns and auger reactors.

Sitaraman, Hariswaran↗

SynBio QC Dual Barcode QC (DBC) v1.0

This software was designed as a sequence validation tool for the assembly of synthetic constructs, where the constructs have a high degree of similarity and thus are barcoded prior to the sequencing library prep. It demultiplexes each FASTQ file for each barcode, then analyzes the resulting FASTQ files against a list of reference sequences for that barcode/library, combining the results from eight sequencing libraries to generate a summary, and the files needed to view the results in the Integrative Genomics Viewer (IGV) application for manual verification. This was developed for FASTQ files generated by PacBio sequencing, but could be used on any FASTQ files that do not have paired end reads. It can be used to analyze one - eight libraries at a time. Each construct is independently analyzed with only the sequences with the same barcode, in the same pooled library. Then the results are combined into a user friendly summary. This is used to identify which libraries of pooled sequences contains a perfect match, or fixable match to the reference file. This pipeline uses many freely available open source libraries, the value added is that in our application the steps of the pipeline are defined in Workflow Description Language (WDL) and run through the Cromwell workflow engine in Docker containers, for easy distribution and set up, as well as the user friendly html summary that is generated.

Simirenko, Lisa↗

The JPL Library information retrieval system

The development, capabilities, and products of the computer-based retrieval system of the Jet Propulsion Laboratory Library are described. The system handles books and documents, produces a book catalog, and provides a machine search capability. Programs and documentation are available to the public through NASA's computer software dissemination program.

Walsh, J.↗

LANDSAT-4 MSS Geometric Correction: Methods and Results

An automated image registration system such as that developed for LANDSAT-4 can produce all of the information needed to verify and calibrate the software and to evaluate system performance. The on-line MSS archive generation process which upgrades systematic correction data to geodetic correction data is described as well as the control point library build subsystem which generates control point chips and support data for on-line upgrade of correction data. The system performance was evaluated for both temporal and geodetic registration. For temporal registration, 90% errors were computed to be .36 IFOV (instantaneous field of view) = 82.7 meters) cross track, and .29 IFOV along track. Also, for actual production runs monitored, the 90% errors were .29 IFOV cross track and .25 IFOV along track. The system specification is .3 IFOV, 90% of the time, both cross and along track. For geodetic registration performance, the model bias was measured by designating control points in the geodetically corrected imagery.

Brooks, J.↗

Constructing an advanced software tool for planetary atmospheric modeling

Scientific model building can be an intensive and painstaking process, often involving the development of large and complex computer programs. Despite the effort involved, scientific models cannot be easily distributed and shared with other scientists. In general, implemented scientific models are complex, idiosyncratic, and difficult for anyone but the original scientist/programmer to understand. We believe that advanced software techniques can facilitate both the model building and model sharing process. In this paper, we describe a prototype for a scientific modeling software tool that serves as an aid to the scientist in developing and using models. This tool includes an interactive intelligent graphical interface, a high level domain specific modeling language, a library of physics equations and experimental datasets, and a suite of data display facilities. Our prototype has been developed in the domain of planetary atmospheric modeling, and is being used to construct models of Titan's atmosphere.

Keller, Richard M.↗

Spectral Analysis Tool 6.2 for Windows

Spectral Analysis Tool 6.2 is the latest version of a computer program that assists in analysis of interference between radio signals of the types most commonly used in Earth/spacecraft radio communications. [An earlier version was reported in Software for Analyzing Earth/Spacecraft Radio Interference (NPO-20422), NASA Tech Briefs, Vol. 25, No. 4 (April 2001), page 52.] SAT 6.2 calculates signal spectra, bandwidths, and interference effects for several families of modulation schemes. Several types of filters can be modeled, and the program calculates and displays signal spectra after filtering by any of the modeled filters. The program accommodates two simultaneous signals: a desired signal and an interferer. The interference-to-signal power ratio can be calculated for the filtered desired and interfering signals. Bandwidth-occupancy and link-budget calculators are included for the user s convenience. SAT 6.2 has a new software structure and provides a new user interface that is both intuitive and convenient. SAT 6.2 incorporates multi-tasking, multi-threaded execution, virtual memory management, and a dynamic link library. SAT 6.2 is designed for use on 32- bit computers employing Microsoft Windows operating systems.

Morgan, Feiming↗

Arion

Arion is a library and tool set that enables researchers to holistically define test system models. To define a complex system for testing an algorithm or control requires expertise across multiple domains. Simulating a complex system requires the integration of multiple simulators and test hardware, each with their own specification languages and concepts. This requires extensive set of knowledge and capabilities. Arion was developed to alleviate this challenge. Arion is a library of Java libraries that abstracts the concepts from supported simulators into a cohesive model language that allows someone to build models to their needed level of fidelity and expertise. Arion is also a software tool that translates the users model back into the specification languages of the simulators and test hardware needed for execution.

Source record↗

diffpy.mpdf : open-source software for magnetic pair distribution function analysis

The open-source Python package diffpy.mpdf , part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package builds on existing libraries in the DiffPy suite to allow users to create models of magnetic structures and calculate corresponding one- and three-dimensional mPDF patterns. diffpy.mpdf can be used to perform fits to mPDF data either in isolation or in combination with atomic pair distribution function data for joint refinement of the atomic and magnetic structure. Examples are given using MnO and MnTe as representative antiferromagnetic compounds and MnSb as a representative ferromagnet.

36 MATERIALS SCIENCE↗

Experimental Internet Environment Software Development

Geographically distributed project teams need an Internet based collaborative work environment or "Intranet." The Virtual Research Center (VRC) is an experimental Intranet server that combines several services such as desktop conferencing, file archives, on-line publishing, and security. Using the World Wide Web (WWW) as a shared space paradigm, the Graphical User Interface (GUI) presents users with images of a lunar colony. Each project has a wing of the colony and each wing has a conference room, library, laboratory, and mail station. In FY95, the VRC development team proved the feasibility of this shared space concept by building a prototype using a Netscape commerce server and several public domain programs. Successful demonstrations of the prototype resulted in approval for a second phase. Phase 2, documented by this report, will produce a seamlessly integrated environment by introducing new technologies such as Java and Adobe Web Links to replace less efficient interface software.

Maddux, Gary A.↗

GeantV: From CPU to accelerators

The GeantV project aims to research and develop the next-generation simulation software describing the passage of particles through matter. While the modern CPU architectures are being targeted first, resources such as GPGPU, Intel© Xeon Phi, Atom or ARM cannot be ignored anymore by HEP CPU-bound applications. The proof of concept GeantV prototype has been mainly engineered for CPU's having vector units but we have foreseen from early stages a bridge to arbitrary accelerators. A software layer consisting of architecture/technology specific backends supports currently this concept. This approach allows to abstract out the basic types such as scalar/vector but also to formalize generic computation kernels using transparently library or device specific constructs based on Vc, CUDA, Cilk+ or Intel intrinsics. While the main goal of this approach is portable performance, as a bonus, it comes with the insulation of the core application and algorithms from the technology layer. This allows our application to be long term maintainable and versatile to changes at the backend side. The paper presents the first results of basket-based GeantV geometry navigation on the Intel© Xeon Phi KNC architecture. We present the scalability and vectorization study, conducted using Intel performance tools, as well as our preliminary conclusions on the use of accelerators for GeantV transport. Lastly, we also describe the current work and preliminary results for using the GeantV transport kernel on GPUs.

43 PARTICLE ACCELERATORS↗

Photon-HDF5: an open file format for single-molecule fluorescence experiments using photon-counting detectors

We introduce Photon-HDF5, an open and efficient file format to simplify exchange and long term accessibility of data from single-molecule fluorescence experiments based on photon-counting detectors such as single-photon avalanche diode (SPAD), photomultiplier tube (PMT) or arrays of such detectors. The format is based on HDF5, a widely used platform- and language-independent hierarchical file format for which user-friendly viewers are available. Photon-HDF5 can store raw photon data (timestamp, channel number, etc) from any acquisition hardware, but also setup and sample description, information on provenance, authorship and other metadata, and is flexible enough to include any kind of custom data. The format specifications are hosted on a public website, which is open to contributions by the biophysics community. As an initial resource, the website provides code examples to read Photon-HDF5 files in several programming languages and a reference python library (phconvert), to create new Photon-HDF5 files and convert several existing file formats into Photon-HDF5. As a result, to encourage adoption by the academic and commercial communities, all software is released under the MIT open source license.

59 BASIC BIOLOGICAL SCIENCES↗

Fair Bagging Boosting Models [SWR-24-38]

Fair Bagging Boosting Models is a software implementation of a framework for building, measuring bias and correcting bias in 3 popular forest machine learning models: gradient boosted trees (GBT), random forest (RF), and XGBoost models, using the XGBoost library. The framework takes advantage of the flexibility in XGBoost library to represent gradient boosted tree and random forest models, as well as the ability to use custom loss function.

Ugirumurera, Juliette↗

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↗

UNITY: Unified Memory and Storage Space

UNITY is a 36-month project focused on providing design and evaluate a new distributed storage paradigm that unifies the traditionally distinct application views of memory- and file-based data storage into a single scalable and resilient environment. The project is a collaboration among Oak Ridge National Laboratory (ORNL, Lead institution), Los Alamos National Labs (LANL), and Georgia Tech (GT). The main contributions of the GT team have been around development of low level systems software for best leveraging the capabilities of new types of persistent memory technologies, and for development of methods for intelligent data management across memory/storage substrates with heterogeneous components. GT contributed the Phoenix library for optimized checkpoint/restart for HPC I/O for systems with non-volatile memory (NVM), the NVStream library for NVM-specialized streaming I/O for HPC workflows, the CoMerge, Mnemo and Kleio solutions for intelligent data management on NVM-based systems. These contributions result in significant improvements in both application performance and system efficiency.

97 MATHEMATICS AND COMPUTING↗

Image processing software for imaging spectrometry data analysis

Imaging spectrometers simultaneously collect image data in hundreds of spectral channels, from the near-UV to the IR, and can thereby provide direct surface materials identification by means resembling laboratory reflectance spectroscopy. Attention is presently given to a software system, the Spectral Analysis Manager (SPAM) for the analysis of imaging spectrometer data. SPAM requires only modest computational resources and is composed of one main routine and a set of subroutine libraries. Additions and modifications are relatively easy, and special-purpose algorithms have been incorporated that are tailored to geological applications.

Mazer, Alan↗