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At least 307 records · Page 17

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DOE OSTI2018

Domain Specific Language for Exascale

The focus of this project was the development of the infrastructure supporting DSLs. The goal is that DSLs can be built easily and economically to address the requirements of future HPC software development on Exascale architectures. We proposed to use a novel integrated approach to support the lifecycle of DSL development and involve all major players including HPC programmers, domain algorithm experts, DSL designers, implementation experts. The resulting software artifacts and processes will include components supporting application migration, DSL specifications, DSL language parsing, compiler construction, refinement and transformation, performance analysis, runtime support, as well as parameterizing abstract extreme-scale machines.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

LArSoft and Future Framework Directions at Fermilab

The diversity of the scientific goals across HEP experiments necessitates unique bodies of software tailored for achieving particular physics results. The challenge, however, is to identify the software that must be unique, and the code that is unnecessarily duplicated, which results in wasted eort and inhibits code maintainability. Fermilab has a history of supporting and developing software projects that are shared among HEP experiments. Fermilab’s scientific computing division currently expends eort in maintaining and developing the LArSoft toolkit, used by liquid argon TPC experiments, as well as the event-processing framework technologies used by LArSoft, CMS, DUNE, and the majority of Fermilab-hosted experiments. As computing needs for DUNE and the HL-LHC become clearer, the computing models are being rethought. Presented here are Fermilab’s plans for addressing the evolving software landscape as it relates to LArSoft and the data-processing frameworks, specifically as it relates to the DUNE experiment.

Knoepfel, Kyle↗

DOE OSTI2017

Development of Automated Procedures to Generate Reference Building Models for ASHRAE Standard 90.1 and India’s Building Energy Code and Implementation in OpenStudio

This paper describes a software system for automatically generating a reference (baseline) building energy model from the proposed (as-designed) building energy model. This system is built using the OpenStudio Software Development Kit (SDK) and is designed to operate on building energy models in the OpenStudio file format.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

LArSoft and Future Framework Directions at Fermilab [Slides]

The diversity of the scientific goals across HEP experiments necessitates unique bodies of software tailored for achieving particular physics results. The challenge, however, is to identify the software that must be unique, and the code that is unnecessarily duplicated, which results in wasted effort and inhibits code maintainability. Fermilab has a history of supporting and developing software projects that are shared among HEP experiments. Fermilab's scientific computing division currently expends effort in maintaining and developing the LArSoft toolkit, used by liquid argon TPC experiments, as well as the event-processing framework technologies used by LArSoft, CMS, DUNE, and the majority of Fermilab-hosted experiments. As computing needs for DUNE and the HL-LHC become clearer, the computing models are being rethought. This talk will focus on Fermilab's plans for addressing the evolving software landscape as it relates to LArSoft and the event-processing frameworks, and how commonality among experiment software can be achieved while still supporting customizations necessary for a given experiment's physics goals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics

The ab initio multiple spawning (AIMS) method enables nonadiabatic quantum molecular dynamics simulations in an arbitrary number of dimensions, with potential energy surfaces provided by electronic structure calculations performed on-the-fly. However, the intricacy of the AIMS algorithm complicates software development, deployment on modern shared computer resources, and post-simulation data analysis. PySpawn is a nonadiabatic molecular dynamics software package that addresses these issues. Here, the program is designed to be easily interfaced with electronic structure software, and an interface to the TeraChem software package is described here. PySpawn introduces a task-based reorganization of the AIMS algorithm, allowing fine-grained restart capability and setting the stage for efficient parallelization in a future release. PySpawn includes a user-friendly and interactive Python analysis module that will enable novice users to painlessly adopt AIMS. As a demonstration of PySpawn’s simulation capability and analysis module, we report complete active space self-consistent field–based AIMS simulations of the 1,2- dithienyl-1,2-dicyanoethene molecule, a promising molecular photoswitch.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Advanced Computing is at the Forefront of a New “Moonshot” Revolutionizing the North American Power Grid

In the 50+ years since the first humans landed on the moon, computing has grown at breakneck speed. We are faced with another challenge that is just as daunting, and just as important to overcome-modernizing the North American electric power grid-and high-performance computing (HPC) systems with specialized software will be an important element in rising to this challenge. We describe at a high level how software developed in the ExaSGD project addresses this "moonshot" goal by utilizing exascale computing and a novel high performance solver software stack to support the mission of decarbonizing power grid operations in an environment of uncertain weather and climate. To reach the exascale benchmark the team has made a number of first-of-their-kind innovations, including novel method for stochastic optimization, fine grained parallel methods for modeling power systems, and GPU resident sparse numerical linear solvers.

17 WIND ENERGY↗

DOE OSTI2016

An Integrated Fuel Depletion Calculator for Fuel Cycle Options Analysis

Bright-lite is a reactor modeling software developed at the University of Texas Austin to expand upon the work done with the Bright [1] reactor modeling software. Originally, bright-lite was designed to function as a standalone reactor modeling software. However, this aim was refocused t couple bright-lite with the Cyclus fuel cycle simulator [2] to make it a module for the fuel cycle simulator.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Power & Water Facility and Infrastructure Planning: CRADA Final Report

Los Alamos National Laboratory (LANL) has developed software and expertise for planning power grids and for examining the human resource issues for a nuclear power program. These programs, and other LANL software innovations, can offer an efficient manner in which to assist the power and water generation industries in both developed and undeveloped countries.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

FRAM, Version 6.1 User Manual

This manual describes the use of version 6.1 of the FRAM gamma-ray isotopic analysis software developed in the Safeguards Science and Technology Group, NEN-1, Nuclear Engineering & Nonproliferation Division, Los Alamos National Laboratory. The software analyzes the gamma ray spectrum from plutonium-bearing items and determines the isotopic distribution of the plutonium, 241Am content, and concentration of other isotopes in the item. The software can also determine the isotopic distribution of uranium isotopes in items containing only uranium. The body of this manual describes the generic version of the code.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2025

Flexible Operation of Microgrids Through Operator-Configurable Microgrid Controllers

Microgrids are becoming critical assets in power distribution systems. This is partly due to the resiliency and reliability challenges faced by power distribution systems in the last decade and partly due to the increased integration of distributed energy resource assets, such as solar photovoltaic. This increased need for microgrids has created a multitude of needs for microgrid controllers. Most microgrid controllers in the past decade have been uniquely programmed or custom programmed to meet the needs of a specific microgrid. Currently, IEEE standards aim to integrate the needs and capabilities of microgrid controllers under a unified umbrella. But the standards do not recommend necessary or appropriate software development practices for microgrid controllers. In addition, the programmable nature and maintenance of controllers are also key characteristics that fall outside the coverage of the standards. In this paper, we present the best software practices that utility engineers and microgrid operators should consider in the microgrid software platform. This paper can be used as an information document for developing documentation of controller requirements and assessing microgrid controller requirements.

Banshee microgrid↗

DOE OSTI2018

Assessment of the MAMMOTH and PRONGHORN Pebble Bed Reactor Modeling Capabilities for the HTR-PM Design

This assessment explores the current analysis methodologies of various external and MOOSE-based tools available at the Idaho National Laboratory to model pebble bed reactor multiphysics phenomena. The study involves three MOOSE-based, coupled codes: 1) MAMMOTH for reactor physics, 2) Rattlesnake for neutron transport and 3) Pronghorn for thermal fluids and strongly coupled conjugate heat transfer. These advanced tools are being developed under DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program (NEAMS). They currently contain a collection of advanced modeling capabilities that allow high-fidelity simulations of advanced reactor concepts including gas and fluoride-salt cooled pebble bed reactors. Software development of these tools follows NQA-1 standards ensuring software quality that many of the currently deployed legacy codes lack. In this work, the MAMMOTH Pronghorn tools are compared to the legacy codes PEBBED-THERMIX-KONVEK. The external codes in use are LAMMPS for pebble mechanics and Serpent for cross section preparation. The coupling under MOOSE enables significant flexibility for modern engineering tools since MOOSE applications can be seamlessly coupled with various levels of resolution. This report focuses on low-resolution (r-z) and midresolution (3-D) homogenized geometries. The high-resolution Pebble Tracking Transport solution is not pursued herein and is postponed to future work. The results from this assessment show that the new MOOSE-based tools compare well with the results from legacy tools (r-z) and produce reasonable accuracy limited by the methods in the legacy tools. In the 3-D studies, the PJFNK-SPH methodology available in MAMMOTH allows the reproduction of Monte Carlo results with a transport-corrected diffusion solution. This has implications for the coupled solutions since without the SPH correction the temperature coefficient of reactivity is under-predicted and leads to lower temperature feedback and a significantly higher eigenvalue showing a difference of 2000 pcm.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

UQpy v4.1: Uncertainty quantification with Python

This paper presents the latest improvements introduced in Version 4 of the UQpy, Uncertainty Quantification with Python, library. In the latest version, the code was restructured to conform with the latest Python coding conventions, refactored to simplify previous tightly coupled features, and improve its extensibility and modularity. To improve the robustness of UQpy, software engineering best practices were adopted. A new software development workflow significantly improved collaboration between team members, and continuous integration and automated testing ensured the robustness and reliability of software performance. Continuous deployment of UQpy allowed its automated packaging and distribution in system agnostic format via multiple channels, while a Docker image enables the use of the toolbox regardless of operating system limitations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Next Generation Workload Management and Analysis System for Big Data

We report on the activities and accomplishments of a four-year project (a three-year grant followed by a one-year no cost extension) to develop a next generation workload management system for Big Data. The new system is based on the highly successful PanDA software developed for High Energy Physics (HEP) in 2005. PanDA is used by the ATLAS experiment at the Large Hadron Collider (LHC), and the AMS experiment at the space station. The program of work described here was carried out by two teams of developers working collaboratively at Brookhaven National Laboratory (BNL) and the University of Texas at Arlington (UTA). These teams worked closely with the original PanDA team – for the sake of clarity the work of the next generation team will be referred to as the BigPanDA project. Their work has led to the adoption of BigPanDA by the COMPASS experiment at CERN, and many other experiments and science projects worldwide.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

A reliable control system for measurement on film thickness in copper chemical mechanical planarization system

In recent years, a variety of film thickness measurement techniques for copper chemical mechanical planarization (CMP) are subsequently proposed. In this paper, the eddy-current technique is used. In the control system of the CMP tool developed in the State Key Laboratory of Tribology, there are in situ module and off-line module for measurement subsystem. The in situ module can get the thickness of copper film on wafer surface in real time, and accurately judge when the CMP process should stop. This is called end-point detection. The off-line module is used for multi-points measurement after CMP process, in order to know the thickness of remained copper film. The whole control system is structured with two levels, and the physical connection between the upper and the lower is achieved by the industrial Ethernet. The process flow includes calibration and measurement, and there are different algorithms for two modules. In the process of software development, C++ is chosen as the programming language, in combination with Qt OpenSource to design two modules’ GUI and OPC technology to implement the communication between the two levels. In addition, the drawing function is developed relying on Matlab, enriching the software functions of the off-line module. The result shows that the control system is running stably after repeated tests and practical operations for a long time.

42 ENGINEERING↗

DOE OSTI2016

Development of flexible, scalable, low cost readout for beam tests of the high granularity calorimeter for the CMS endcap

As part of the development of the High Granularity Calorimeter for the CMS Endcap at HL-LHC, The CMS collaboration is conducting a comprehensive series of beam tests. The first beam test, with a single HGC module was carried out in March of 2016 at the Fermilab Test Beam Facility, continuing to a 16 module test in July of 2016. We describe here the development of a low cost readout system that is simple to implement and is able to grow with the system under test. The system is based on the low cost Zynq SoC that allows simple DAQ development in a Linux environment. For this application we used the Digilent ZedBoard, which allows high speed LVDS links and Linux software development on a single commercial board. A small custom FPGA board designed to comply with the VITA 57 Field Programmable Mezzanine Card standard implements the interface to the readout ASIC mounted on the HGC sensor modules and provides the LVDS links to the ZedBoard, either directly over the FMC connector or via a custom carrier card. This architecture provides scalability, ease of development and low cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Effects of overlapping sources on cosmic shear estimation: Statistical sensitivity and pixel-noise bias

The next generation of dark-energy imaging surveys — so called “Stage-IV” surveys, such as that of the Rubin Observatory Legacy Survey of Space and Time (LSST) — will cross a threshold in the number density of detected sources on the sky that requires qualitatively different image analysis and measurement techniques compared to the current generation of Stage-III surveys. In Stage-IV surveys, a significant amount of the cosmologically useful information is due to sources whose images overlap with those of other sources on the sky. Here, we focus on the weak gravitational lensing probe, for which we expect the largest impact since the cosmic shear signal is primarily encoded in the estimated shapes of observed galaxies and thus directly impacted by overlaps. We introduce a framework based on the Fisher formalism to analyze the effect of the overlapping sources (“blending”) on the estimation of cosmic shear. This method gives concrete predictions for the minimum loss of information due to noise and blending for any choice of “deblending” scheme and shape-measurement algorithm. Our studies account for undetected sources but do not address their full effects and biases they may introduce. We use simulated images and predict this impact of blending for three surveys: the Dark Energy Survey (DES), the Hyper-Suprime Cam Subaru Strategic Program (HSC-SSP), and the Rubin LSST. Our methodology successfully estimates the statistical sensitivity to weak lensing for DES and HSC early results. For LSST, we present the expected loss in statistical sensitivity for the ten-year survey due to blending. We find that for approximately 62% of galaxies that are likely to be detected in full-depth LSST images, at least 1% of the flux in their pixels is from overlapping sources. We also find that the statistical correlations between measures of overlapping galaxies and, to a much lesser extent (0.2%) the higher shot noise level due to their presence, decrease the effective number density of galaxies, N eff , by ~ 18%. We calculate an upper limit on N eff of 39.4 galaxies per arcmin 2 in r band. We study the impact of stars on as a function of stellar density and illustrate the diminishing returns of extending the survey into lower Galactic latitudes. We extend the simulation-based Fisher formalism to predict the expected increase in pixel-noise bias due to blending for maximum-likelihood (ML) shape estimators. We find that noise bias depends sensitively on the particular shape estimator and measure of ensemble-average shape that is used, and properties of the galaxy that include redshift-dependent quantities such as size and luminosity. The source code for these studies is available online.[The documented software developed for the catalog-level studies are available in the open-source LSST DESC github repository https://github.com/LSSTDESC/WeakLensingDeblending. The software for analyzing one or two galaxies with user-defined parameters is in the open-source github repository https://github.com/ismael-mendoza/ShapeMeasurementFisherFormalism.]

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence (University of Delaware)

This report summarizes the activities, technical accomplishments, and outcomes of the RAPIDS2 Institute project at the University of Delaware (UD). The RAPIDS2 Institute was a large multi-institution project with the objective of assisting SciDAC and Office of Science application teams in the use of DOE supercomputing resources to achieve scientific breakthroughs. The UD team contributed to this effort through work on formal software verification. This thrust aims to reduce software developer time and effort, especially regarding debugging and testing, and to increase confidence in the correctness of the results computed by the software.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Implementation of a Dose-based Compliance System for WCS - 19178

Waste Control Specialists LLC (WCS) operates a low-level radioactive waste (LLRW) disposal facility in Andrews, Texas. The site includes a compact waste facility (CWF) that began receiving waste in 2012, a federal waste facility (FWF) that started receiving waste in 2013, as well as a Resource Conservation and Recovery Act (RCRA) landfill and a byproduct facility. The current site license uses a complex system of concentration-based investigation levels and action levels (ILs and ALs) coupled with analytical decision levels (ADLs) that, when exceeded, require specific steps to be taken. These concentration-based ILs and ALs are media specific (i.e. air, soil, water), radionuclide specific, location specific, and disposal facility specific. This results in thousands of individual ILs, ALs, and ADLs that need to be managed and evaluated routinely in order to demonstrate compliance. Further, under the current system, each exceedance of an IL and AL can trigger comparisons to numerous additional isotopic ILs per sample, which is cumbersome, error prone, and costly. This paper describes implementation of a dose-based compliance system that has been developed to replace the existing system. The dose-based compliance system is implemented in RACER{sup C}, a cloud-based software developed by Risk Assessment Corporation (RAC). This system maintains all the analytical results related to the sampling and analysis conducted as part of the Radiological Environmental Monitoring Program (REMP) together with the geo-spatial data allowing instantaneous trending and analysis of the data. Further, the system contains the information needed to compare the analytical results to the new media-specific screening levels that have been developed, and the parameters and routines to compute doses using prescribed exposure scenarios and dose coefficients for compliance evaluation. Once measurement data are entered into RACER, the routines for continuous screening of air, soil, groundwater, and dosimeter data are triggered, and any sample result failing the screening step or exceeding the dose IL/AL is identified and flagged automatically for further review or action, as appropriate. Because RACER is cloud-based, the data, screening, and dose calculations can be accessed remotely at any time, providing a timely and efficient method for identifying any possible releases from the site to the environment as well as determining the potential dose consequences associated with a release. Furthermore, the system is accessible by the regulator providing transparency and ensuring they remain fully informed in an efficient manner. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗