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DOE OSTI2020

Library for Evolutionary Algorithms in Python (LEAP)

There are generally three types of scientific software users: users that solve problems using existing science software tools, researchers that explore new approaches by extending existing code, and educators that teach students scientific concepts. Python is a general-purpose programming language that is accessible to beginners, such as students, but also as a language that has a rich scientific programming ecosystem that facilitates writing research software. Additionally, as high-performance computing (HPC) resources become more readily available, software support for parallel processing becomes more relevant to scientific software.There currently are no Python-based evolutionary computation frameworks that support all three types of scientific software users. Moreover, some support synchronous concurrent fitness evaluation that do not efficiently use HPC resources. We pose here a new Python-based EC framework that uses an established generalized unified approach to EA concepts to provide an easy to use toolkit for users wishing to use an EA to solve a problem, for researchers to implement novel approaches, and for providing a low-bar to entry to EA concepts for students. Additionally, this toolkit provides a scalable asynchronous fitness evaluation implementation friendly to HPC that has been vetted on hardware ranging from laptops to the world’s fastest supercomputer, Summit.

Coletti, Mark↗

DOE OSTI2016

PB-AM: An open-source, fully analytical linear poisson-boltzmann solver

Here, we present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized PB equation, for molecules represented as non-overlapping spherical cavities. The PB-AM software package includes the generation of outputs files appropriate for visualization using visual molecular dynamics, a Brownian dynamics scheme that uses periodic boundary conditions to simulate dynamics, the ability to specify docking criteria, and offers two different kinetics schemes to evaluate biomolecular association rate constants. Given that PB-AM defines mutual polarization completely and accurately, it can be refactored as a many-body expansion to explore 2- and 3-body polarization. Additionally, the software has been integrated into the Adaptive Poisson-Boltzmann Solver (APBS) software package to make it more accessible to a larger group of scientists, educators, and students that are more familiar with the APBS framework.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2005

Development, Implementation and Application of Micromechanical Analysis Tools for Advanced High Temperature Composites

This document contains the final report to the NASA Glenn Research Center (GRC) for the research project entitled Development, Implementation, and Application of Micromechanical Analysis Tools for Advanced High-Temperature Composites. The research supporting this initiative has been conducted by Dr. Brett A. Bednarcyk, a Senior Scientist at OM in Brookpark, Ohio from the period of August 1998 to March 2005. Most of the work summarized herein involved development, implementation, and application of enhancements and new capabilities for NASA GRC's Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC) software package. When the project began, this software was at a low TRL (3-4) and at release version 2.0. Due to this project, the TRL of MAC/GMC has been raised to 7 and two new versions (3.0 and 4.0) have been released. The most important accomplishments with respect to MAC/GMC are: (1) A multi-scale framework has been built around the software, enabling coupled design and analysis from the global structure scale down to the micro fiber-matrix scale; (2) The software has been expanded to analyze smart materials; (3) State-of-the-art micromechanics theories have been implemented and validated within the code; (4) The damage, failure, and lifing capabilities of the code have been expanded from a very limited state to a vast degree of functionality and utility; and (5) The user flexibility of the code has been significantly enhanced. MAC/GMC is now the premier code for design and analysis of advanced composite and smart materials. It is a candidate for the 2005 NASA Software of the Year Award. The work completed over the course of the project is summarized below on a year by year basis. All publications resulting from the project are listed at the end of this report.

Source record↗

DOE OSTI2015

Tierless Programming for the Internet of Things

The Internet of Things (IoT) is about Internet-addressability and connectivity for everyday devices. The goal of this project was to create a framework to allow developers to more easily control IoT devices and turn their interactions into meaningful applications. We leveraged a tierless approach for Software Defined Networking (SDN) to build this framework. We expanded Flowlog, a tierless programming language for SDN controllers, to support IoT devices developed by Spark IO to build this framework.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Validating automated resonance evaluation with synthetic data

The integrity and precision of nuclear data are crucial for a broad spectrum of applications, from national security and nuclear reactor design to medical diagnostics, where the associated uncertainties can significantly impact outcomes. A substantial portion of uncertainty in nuclear data originates from the subjective biases in the evaluation process, a crucial phase in the nuclear data production pipeline. Recent advancements indicate that automation of certain routines can mitigate these biases, thereby standardizing the evaluation process and enhancing reproducibility. This research aims to provide a methodology, framework, and metrics for the validation of automated nuclear data evaluation software leveraging high-quality synthetic data that closely mimic real experimental observables. An introduced error metric provides a scale and intuitive measure of the evaluation quality by quantifying the estimate’s accuracy and performance across the specified energy range. Synthetic data provides access to experimental observables and underlying resonance parameters, enabling comparison of different evaluations. The methodology is demonstrated using Ta-181 isotope data in the resolved resonance region. The Automated Resonance Identification Subroutine (ARIS), which operates without prior resonance information, was used to test and showcase the framework’s capabilities utilizing the proposed error metrics. The results demonstrate the effectiveness of the proposed approach and framework for optimizing software parameters and testing hypotheses through “what-if” controlled experiments, such as modifying assumptions about experimental conditions or average resonance parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Faster than Real-Time Dynamic Simulation for Large-Size Power System with Detailed Dynamic Models using High-Performance Computing Platform

This paper presents a faster-than-real-time dynamic simulation software package that is designed for large-size power system dynamic simulation. It was developed on the GridPACKTM high-performance computing (HPC) framework. The key features of the developed software package include (1) faster-than-real-time dynamic simulation for a WECC system (17,000 buses) with different types of detailed generator, controller, and relay dynamic models, (2) a decoupled parallel dynamic simulation algorithm with optimized computation architecture to better leverage HPC resources and technologies, (3) options for HPC-based linear and iterative solvers, (4) hidden HPC details, such as data communication and distribution, to enable development centered on mathematical models and algorithms rather than on computational details for power system researchers, and (5) easy integration of new dynamic models and related algorithms into the software package.

Huang, Renke↗

DOE OSTI2025

Developing and Managing Data Acquisition Software Using Spack

The Data Acquisition systems of particle physics experiments regularly push the boundaries of high-throughput computing, demanding low-latency collection of data from thousands of devices, collating data into time-sliced events, processing these events and making trigger decisions, and writing the selected data streams to disk. To accomplish these tasks, the DAQ Engineering and Operations department at Fermilab leverages multiple software libraries and builds reusable DAQ frameworks on top. These libraries must be delivered in well-defined bundles and are thoroughly tested for compatibility and functionality before being deployed to live detectors. We have several techniques used to ensure that a consistent set of dependencies can be delivered and re-created at need. We must also support active development of DAQ software components, ideally in an environment as close as possible to that of the detectors. This development often occurs across multiple packages which have to be built in concert and features tested in a consistent and reproducible manner. I will present our scheme for accomplishing these goals using Spack environments, bundle packages, and Github Actions-based CI.

Flumerfelt, Eric [Fermilab]↗

NASA NTRS2007

Using EIGER for Antenna Design and Analysis

EIGER (Electromagnetic Interactions GenERalized) is a frequency-domain electromagnetics software package that is built upon a flexible framework, designed using object-oriented techniques. The analysis methods used include moment method solutions of integral equations, finite element solutions of partial differential equations, and combinations thereof. The framework design permits new analysis techniques (boundary conditions, Green#s functions, etc.) to be added to the software suite with a sensible effort. The code has been designed to execute (in serial or parallel) on a wide variety of platforms from Intel-based PCs and Unix-based workstations. Recently, new potential integration scheme s that avoid singularity extraction techniques have been added for integral equation analysis. These new integration schemes are required for facilitating the use of higher-order elements and basis functions. Higher-order elements are better able to model geometrical curvature using fewer elements than when using linear elements. Higher-order basis functions are beneficial for simulating structures with rapidly varying fields or currents. Results presented here will demonstrate curren t and future capabilities of EIGER with respect to analysis of installed antenna system performance in support of NASA#s mission of exploration. Examples include antenna coupling within an enclosed environment and antenna analysis on electrically large manned space vehicles.

Champagne, Nathan J.↗

DOE OSTI2022

Status of the data acquisition, trigger, and slow control systems of the Mu2e experiment at Fermilab

The Mu2e experiment at the Fermilab will search for a coherent neutrinoless conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement by a factor of 10,000 over existing limits. In this work, the Mu2e Trigger and Data Acquisition System (TDAQ) uses otsdaq framework as the online Data Acquisition System (DAQ) solution. Developed at Fermilab, otsdaq integrates several framework components — an artdaq-based DAQ, an art-based event processing, and an EPICS-based detector control system (DCS), and provides a uniform multi-user interface to its components through a web browser. Data streams from the Mu2e tracker and calorimeter are handled by the artdaq-based DAQ and processed by a one-level software trigger implemented within the art framework. Events accepted by the trigger have their data combined, post-trigger, with the separately read out data from the Mu2e Cosmic Ray Veto system. Foundation of the Mu2e DCS, EPICS – an Experimental Physics and Industrial Control System – is an open-source platform for monitoring, controlling, alarming, and archiving. A prototype of the TDAQ and the DCS systems has been built and tested over the last three years at Fermilab’s Feynman Computing Center, and now the production system installation is underway. This work presents their status and focus on the installation plans and procedures for racks, workstations, network switches, gateway computers, DAQ hardware, slow controls implementation, and testing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

VARS Framework

The Verification and Validation Assuring Reliability and Security (VARS) project team has developed the proof-of-concept VARS framework which will be implemented in the form of a software tool called Risk-Informed Verification and Validation Recommendation (RIVVR). The framework will provide Energy Delivery System (EDS) stakeholders with cybersecurity focused verification and validation (V&V) approach which includes list of potentially relevant vulnerabilities to test or address, pre-procurement guidance, and separate lists of relevant standards, tools, and techniques (ST2) to be considered by utilities and vendors

Pal, Seemita↗

DOE OSTI2019

Reactivity Feedback Modeling in SAM

System Analysis Module (SAM) is being developed at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. This report presents the development of Point-Kinetics modeling and reactivity feedback mechanisms in SAM. It also presents a new capability for predicting the thermal expansion in various structural components by coupling SAM with an external thermomechanics module (Tensor Mechanics) from the MOOSE framework. The analysis of the transient behavior of a nuclear reactor requires the coupled simulation of reactor kinetics and thermal-hydraulics of the reactor core, especially for those unprotected transients where the reactor scram system may not function properly. The point kinetics model has been widely used for reactor safety analysis due to its simplicity to capture the transient behavior of the reactor. Various reactivity feedback models have been developed and integrated with the Point-Kinetics module, including fuel axial expansion, core radial expansion, fuel Doppler, and coolant density reactivity. The reactivity feedback models in SAM are similar to the respective models used in SAS4A/SASSYS-1. This report first presents the brief theory of the Point-Kinetics module and reactivity feedback models. A number of verification tests have been performed where the code simulations are compared to the analytical model results. The reactivity feedback due to the thermal deformation, such as the fuel axial expansion and core radial expansion, is important for SFR transient analysis. Simplified thermal expansion models for the fuel pin and reactor constrain system (e.g. grid plate) are developed and verified in SAM. Additionally, a coupling interface is developed to couple SAM with external thermomechanical analysis modules for more accurate predictions of the thermal expansion of different components during the transients. The current coupling interface has been tested with the Tensor Mechanics module from MOOSE. These point kinetics and reactivity feedback modeling capabilities have also been demonstrated by simulating the early stage of the unprotected loss-of-flow (ULOF) accident in the Advanced Burner Test Reactor (ABTR). Both the stand-alone SAM and coupled SAM and Tensor Mechanics simulations are performed. It is confirmed that the major physics phenomena in the heat transport system of the ABTR reactor are captured by SAM, and the point kinetics model, reactivity feedback models, and the coupling schemes are working well as expected.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Reactivity Feedback Modeling in SAM

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2016

ANOPP2 User's Manual: Version 1.2

This manual documents the Aircraft NOise Prediction Program 2 (ANOPP2). ANOPP2 is a toolkit that includes a framework, noise prediction methods, and peripheral software to aid a user in predicting and understanding aircraft noise. This manual includes an explanation of the overall design and structure of ANOPP2, including a brief introduction to aircraft noise prediction and the ANOPP2 background, philosophy, and architecture. The concept of nested acoustic data surfaces and its application to a mixed-fidelity noise prediction are presented. The structure and usage of ANOPP2, which includes the communication between the user, the ANOPP2 framework, and noise prediction methods, are presented for two scenarios: wind-tunnel and flight. These scenarios serve to provide the user with guidance and documentation references for performing a noise prediction using ANOPP2.

Lopes, L. V.↗

NASA NTRS1991

Software life cycle methodologies and environments

Products of this project will significantly improve the quality and productivity of Space Station Freedom Program software processes by: improving software reliability and safety; and broadening the range of problems that can be solved with computational solutions. Projects brings in Computer Aided Software Engineering (CASE) technology for: Environments such as Engineering Script Language/Parts Composition System (ESL/PCS) application generator, Intelligent User Interface for cost avoidance in setting up operational computer runs, Framework programmable platform for defining process and software development work flow control, Process for bringing CASE technology into an organization's culture, and CLIPS/CLIPS Ada language for developing expert systems; and methodologies such as Method for developing fault tolerant, distributed systems and a method for developing systems for common sense reasoning and for solving expert systems problems when only approximate truths are known.

Fridge, Ernest↗

NASA NTRS2005

Software Certification for Temporal Properties With Affordable Tool Qualification

It has been recognized that a framework based on proof-carrying code (also called semantic-based software certification in its community) could be used as a candidate software certification process for the avionics industry. To meet this goal, tools in the "trust base" of a proof-carrying code system must be qualified by regulatory authorities. A family of semantic-based software certification approaches is described, each different in expressive power, level of automation and trust base. Of particular interest is the so-called abstraction-carrying code, which can certify temporal properties. When a pure abstraction-carrying code method is used in the context of industrial software certification, the fact that the trust base includes a model checker would incur a high qualification cost. This position paper proposes a hybrid of abstraction-based and proof-based certification methods so that the model checker used by a client can be significantly simplified, thereby leading to lower cost in tool qualification.

Xia, Songtao↗

DOE OSTI2017

A streamlined build system foundation for developing HPC software

BLT bundles custom CMake macros, unit testing frameworks for C++ and Fortran, and a set of smoke tests for common HPC dependencies. The combination of these three provides a foundation for quickly bootstrapping a CMale-based system for developing HPC softward.

White, Chris↗

NASA NTRS1991

NASA Software Documentation Standard

The NASA Software Documentation Standard (hereinafter referred to as "Standard") is designed to support the documentation of all software developed for NASA; its goal is to provide a framework and model for recording the essential information needed throughout the development life cycle and maintenance of a software system. The NASA Software Documentation Standard can be applied to the documentation of all NASA software. The Standard is limited to documentation format and content requirements. It does not mandate specific management, engineering, or assurance standards or techniques. This Standard defines the format and content of documentation for software acquisition, development, and sustaining engineering. Format requirements address where information shall be recorded and content requirements address what information shall be recorded. This Standard provides a framework to allow consistency of documentation across NASA and visibility into the completeness of project documentation. The basic framework consists of four major sections (or volumes). The Management Plan contains all planning and business aspects of a software project, including engineering and assurance planning. The Product Specification contains all technical engineering information, including software requirements and design. The Assurance and Test Procedures contains all technical assurance information, including Test, Quality Assurance (QA), and Verification and Validation (V&V). The Management, Engineering, and Assurance Reports is the library and/or listing of all project reports.

Source record↗

NASA NTRS2001

Examining Reuse in LaSRS++-Based Projects

NASA Langley Research Center (LaRC) developed the Langley Standard Real-Time Simulation in C++ (LaSRS++) to consolidate all software development for its simulation facilities under one common framework. A common framework promised a decrease in the total development effort for a new simulation by encouraging software reuse. To judge the success of LaSRS++ in this regard, reuse metrics were extracted from 11 aircraft models. Three methods that employ static analysis of the code were used to identify the reusable components. For the method that provides the best estimate, reuse levels fall between 66% and 95% indicating a high degree of reuse. Additional metrics provide insight into the extent of the foundation that LaSRS++ provides to new simulation projects. When creating variants of an aircraft, LaRC developers use object-oriented design to manage the aircraft as a reusable resource. Variants modify the aircraft for a research project or embody an alternate configuration of the aircraft. The variants inherit from the aircraft model. The variants use polymorphism to extend or redefine aircraft behaviors to meet the research requirements or to match the alternate configuration. Reuse level metrics were extracted from 10 variants. Reuse levels of aircraft by variants were 60% - 99%.

Madden, Michael M.↗