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At least 217 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2019

OpenMP 4.5 and CUDA C++ and FORTRAN code samples

Brief Description for Public Release: A collection of general code samples demonstrating issues encountered with using OpenMP4.5 (and some CUDA) during efforts to port codes to a GPU platform using IBM XL. These independent examples include both C++ and FORTRAN language usage, along with attempts to use OpenMP and CUDA in an interoperable manner. This suite of code samples is meant to supplement the examples provided by openmp.org at https://github.com/OpenMP/Examples, especially in regards to FORTRAN language support and OpenMP/CUDA interoperability.

Black, AaronC.↗

DOE OSTI2017

Fourier-Bessel Particle-In-Cell (FBPIC) v0.1.0

The Fourier-Bessel Particle-In-Cell code is a scientific simulation software for relativistic plasma physics. It is a Particle-In-Cell code whose distinctive feature is to use a spectral decomposition in cylindrical geometry. This decomposition allows to combine the advantages of spectral 3D Cartesian PIC codes (high accuracy and stability) and those of finite-difference cylindrical PIC codes with azimuthal decomposition (orders-of-magnitude speedup when compared to 3D simulations). The code is built on Python and can run both on CPU and GPU (the GPU runs being typically 1 or 2 orders of magnitude faster than the corresponding CPU runs.) The code has the exact same output format as the open-source PIC codes Warp and PIConGPU (openPMD format: openpmd.org) and has a very similar input format as Warp (Python script with many similarities). There is therefore tight interoperability between Warp and FBPIC, and this interoperability will increase even more in the future.

Lehe, Remi↗

DOE OSTI2016

The Earth System Prediction Suite: Toward a Coordinated U.S. Modeling Capability

The Earth System Prediction Suite (ESPS) is a collection of flagship U.S. weather and climate models and model components that are being instrumented to conform to interoperability conventions, documented to follow metadata standards, and made available either under open-source terms or to credentialed users. Furthermore, the ESPS represents a culmination of efforts to create a common Earth system model architecture, and the advent of increasingly coordinated model development activities in the United States. ESPS component interfaces are based on the Earth System Modeling Framework (ESMF), community-developed software for building and coupling models, and the National Unified Operational Prediction Capability (NUOPC) Layer, a set of ESMF-based component templates and interoperability conventions. Our shared infrastructure simplifies the process of model coupling by guaranteeing that components conform to a set of technical and semantic behaviors. The ESPS encourages distributed, multiagency development of coupled modeling systems; controlled experimentation and testing; and exploration of novel model configurations, such as those motivated by research involving managed and interactive ensembles. ESPS codes include the Navy Global Environmental Model (NAVGEM), the Hybrid Coordinate Ocean Model (HYCOM), and the Coupled Ocean–Atmosphere Mesoscale Prediction System (COAMPS); the NOAA Environmental Modeling System (NEMS) and the Modular Ocean Model (MOM); the Community Earth System Model (CESM); and the NASA ModelE climate model and the Goddard Earth Observing System Model, version 5 (GEOS-5), atmospheric general circulation model.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Designing and prototyping extensions to the Message Passing Interface in MPICH

As HPC system architectures and the applications running on them continue to evolve, the MPI standard itself must evolve. The trend in current and future HPC systems toward powerful nodes with multiple CPU cores and multiple GPU accelerators makes efficient support for hybrid programming critical for applications to achieve high performance. However, the support for hybrid programming in the MPI standard has not kept up with recent trends. The MPICH implementation of MPI provides a platform for implementing and experimenting with new proposals and extensions to fill this gap and to gain valuable experience and feedback before the MPI Forum can consider them for standardization. Here, in this work, we detail six extensions implemented in MPICH to increase MPI interoperability with other runtimes, with a specific focus on heterogeneous architectures. First, the extension to MPI generalized requests lets applications integrate asynchronous tasks into MPI’s progress engine. Second, the iovec extension to datatypes lets applications use MPI datatypes as a general-purpose data layout API beyond just MPI communications. Third, a new MPI object, MPIX_Stream, can be used by applications to identify execution contexts beyond MPI processes, including threads and GPU streams. MPIX stream communicators can be created to make existing MPI functions thread-aware and GPU-aware, thus providing applications with explicit ways to achieve higher performance. Fourth, MPIX Streams are extended to support the enqueue semantics for offloading MPI communications onto a GPU stream context. Fifth, thread communicators allow MPI communicators to be constructed with individual threads, thus providing a new level of interoperability between MPI and on-node runtimes such as OpenMP. Lastly, we present an extension to invoke MPI progress, which lets users spawn progress threads with fine-grained control to adapt the communication performance to their application designs. We describe the design and implementation of these extensions, provide usage examples, and highlight their expected benefits with performance results.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

The need for standardization and improved open (meta)data practices in metaproteomics

Metaproteomics enables functional insight into microbial communities by identifying and quantifying proteins in complex samples. Yet, heterogeneous analytical workflows and the lack of standardization across experimental and bioinformatics stages hinder reproducibility and comparability, limiting integration with other omics data. We here present a community-developed reporting checklist tailored to the specific needs of metaproteomics. We also outline current efforts to enable structured and interoperable metadata capture, drawing on standards from proteomics and microbiome research wherever possible. By promoting transparent reporting and advancing metadata practices, our recommendations aim to align metaproteomics more closely with FAIR principles and support reproducible and interoperable research practices.

Armengaud, Jean [Universite Paris-Saclay, France]↗

DOE OSTI2020

Transforming the study of organisms: Phenomic data models and knowledge bases

The rapidly decreasing cost of gene sequencing has resulted in a deluge of genomic data from across the tree of life; however, outside a few model organism databases, genomic data are limited in their scientific impact because they are not accompanied by computable phenomic data. The majority of phenomic data are contained in countless small, heterogeneous phenotypic data sets that are very difficult or impossible to integrate at scale because of variable formats, lack of digitization, and linguistic problems. One powerful solution is to represent phenotypic data using data models with precise, computable semantics, but adoption of semantic standards for representing phenotypic data has been slow, especially in biodiversity and ecology. Some phenotypic and trait data are available in a semantic language from knowledge bases, but these are often not interoperable. In this review, we will compare and contrast existing ontology and data models, focusing on nonhuman phenotypes and traits. We discuss barriers to integration of phenotypic data and make recommendations for developing an operationally useful, semantically interoperable phenotypic data ecosystem.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms

We need to effectively combine the knowledge from surging literature with complex datasets to propose mechanistic models of SARS-CoV-2 infection, improving data interpretation and predicting key targets of intervention. Here, we describe a large-scale community effort to build an open access, interoperable and computable repository of COVID-19 molecular mechanisms. The COVID-19 Disease Map (C19DMap) is a graphical, interactive representation of disease-relevant molecular mechanisms linking many knowledge sources. Notably, it is a computational resource for graph-based analyses and disease modelling. To this end, we established a framework of tools, platforms and guidelines necessary for a multifaceted community of biocurators, domain experts, bioinformaticians and computational biologists. The diagrams of the C19DMap, curated from the literature, are integrated with relevant interaction and text mining databases. We demonstrate the application of network analysis and modelling approaches by concrete examples to highlight new testable hypotheses. This framework helps to find signatures of SARS-CoV-2 predisposition, treatment response or prioritisation of drug candidates. Such an approach may help deal with new waves of COVID-19 or similar pandemics in the long-term perspective.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Competing Use Analysis for Offshore Renewables and Subsea Cables

Demand for abundant and diverse resources in the oceans is growing, necessitating marine spatial planning. To inform development of Marine Hydrokinetic (MHK) and Offshore Wind (OSW) resources, the Department of Energy (DOE) has asked NREL to identify the competing uses areas between promising MHK/OSW sites and submarine power and telecommunications cables. The first step in this work is to identify and quantify the overlap between the MHK/OSW resource availability and existing cable routes. The analysis is done in terms of resource area because the task of quantifying actual impacts on available resource is a non-trivial undertaking that involves subjective decisions of identifying resource opportunities. Quantifying overlap in-terms of resource area?on the other hand?is significantly more straight forward, and useful to marine spatial planners. This dataset of polygons describes recommended setback areas from submarine cables for marine renewable energy Development. Two archive files are provided: 1. NREL Cables Setback-Polygons.zip contains the following GeoJSON files: 1.a. cables_100ft.geojson: The Code of Federal Regulations (CFR 585.301) specifies that the legal right of way for submarine cables is 100 ft (~30 meters) to either side of the cable (i.e., 200 ft wide). 1.b. cables_2z.geojson: The International Cable Protection Committee (ICPC) of the North American Submarine Cable Association (NASCA) recommends setback distances for new facilities as the maximum of 500 m or twice the bottom depth (2z), per ICPC Recommendation 13 No. 2 (Communications Security, Reliability and Interoperability Council IV 2014). For depths 250 m, 2 * depth is to be used. 1.c. cables_3z.geojson: The ICPC of NASCA recommends setback distances for new cables as the maximum of 500 m or three times the bottom depth (3z), per ICPC Recommendation 2 No. 10 (Communications Security, Reliability and Interoperability Council IV 2014). So for depths 167 m, 3 * depth is to be used. 2. NREL Submarine Cable Analysis Code Data Presentations.zip contains all files (code, data, README, etc) from release 0.1 of this Github repository for possibly regenerating the product as submarine cable configurations change: https://github.com/ecoquants/nrel-cables. For more details, please see the link to the full report for which this data product is a supplemental output: Submarine Cable Analysis for U.S. Marine Renewable Energy Development by Ben Best and Levi Kilcher National Renewable Energy Laboratory

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

ESS-DIVE Reporting Format for Comma-separated Values (CSV) File Structure

The ESS-DIVE reporting format for Comma-separated Values (CSV) file structure is based on a combination of existing guidelines and recommendations including some found within the Earth Science Community with valuable input from the Environmental Systems Science (ESS) Community. The CSV reporting format is designed to promote interoperability and machine-readability of CSV data files while also facilitating the collection of some file-level metadata content. Tabular data in the form of rows and columns should be archived in its simplest form, and we recommend submitting these tabular data following the ESS-DIVE reporting format for generic comma-separated values (CSV) text format files. In general, the CSV file format is more likely accessible by future systems when compared to a proprietary format and CSV files are preferred because this format is easier to exchange between different programs increasing the interoperability of a data file. By defining the reporting format and providing guidelines for how to structure CSV files and some field content within, this can increase the machine-readability of the data file for extracting, compiling, and comparing the data across files and systems.Data package files are in .csv, .png, and .md. Open the .csv with e.g. Microsoft Excel, LibreOffice, or Google Sheets. Open the .md files by downloading and using a text editor (e.g., notepad or TextEdit). Open the .png in e.g. a web browser, photo viewer/editor, or Google Drive.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Digital twin framework for PIP-II linac: AI-driven multi-scale modeling from ion source to 800 MeV

The PIP-II superconducting linac at Fermilab is designed to deliver multi-megawatt proton beams for neutrino physics and other high-intensity applications. To expedite commissioning and enhance operational reliability, we have developed an EPICS-based data flow framework that seamlessly integrates digital twins (DT) with physical twins (PT). These digital twins comprise high-fidelity beam dynamics models or data-driven surrogate models connected to their physical counterparts through real-time diagnostics and advanced machine-learning algorithms.Central to this framework is Linac_Gen, an accelerated simulation tool that incorporates convolutional neural networks, random forests, and genetic algorithms to provide up to a tenfold speedup in optimizing the accelerator geometry model. An EPICS translator layer ensures interoperability by efficiently mapping lattice parameters across diverse simulation platforms.Our EPICS-based framework supports multiple operational modes—monitoring, passive learning, closed-loop control, and online learning—covering the entire machine lifecycle. By leveraging HPC resources and multi-objective optimization techniques, the digital twin enables adaptive trajectory correction, real-time fault detection, and predictive modeling of beam stability. This comprehensive approach paves the way for robust, high-intensity operation and data-driven accelerator R&D at Fermilab.

Pathak, Abhishek [Fermilab]↗

DOE OSTI2023

CMakePPLang: An object-oriented extension to CMake

CMakePPLang is an object-oriented extension to the CMake language written entirely using the original CMake language, with the goal of making projects built on CMake easier to create and maintain. That said, CMakePPLang has different coding practices, paradigms, and standards than the original CMake language, much in the same way that C++ coding differs from C coding despite some level of interoperability. Currently, CMakePPLang is used within the CMakePP organization as the foundation for two in-progress projects: CMakeTest and CMaize. CMakeTest provides a solution for unit testing CMake and CMakePPLang code. CMaize is a CMake tool to simplify interoperability between projects and writing their build systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Irvine Smart Grid Demonstration, a Regional Smart Grid Demonstration Project

ISGD was a comprehensive demonstration that spanned the electricity delivery system and extended into customer homes. The project used phasor measurement technology to enable substation-level situational awareness, and demonstrated SCE’s next-generation substation automation system. It extended beyond the substation to evaluate the latest generation of distribution automation technologies, including looped 12-kV distribution circuit topology using URCIs. The project team used DVVC capabilities to demonstrate CVR. In customer homes, the project evaluated HAN devices such as smart appliances, programmable communicating thermostats, and home energy management components. The homes were also equipped with energy storage, solar PV systems, and a number of energy efficiency measures (EEMs). The team used one block of homes to evaluate strategies and technologies for achieving ZNE. A home achieves ZNE when it produces at least as much renewable energy as the amount of energy it consumes annually. The project also assessed the impact of device-specific demand response (DR), as well as load management capabilities involving energy storage devices and plug-in electric vehicle charging equipment. In addition, the ISGD project sought to better understand the impact of ZNE homes on the electric grid. ISGD’s SENet enabled end-to-end interoperability between multiple vendors’ systems and devices, while also providing a level of cybersecurity that is essential to smart grid development and adoption across the nation. The ISGD project includes a series of sub-projects grouped into four logical technology domains: Smart Energy Customer Solutions, Next-Generation Distribution System, Interoperability and Cybersecurity, and Workforce of the Future. Section 2.3 provides a more detailed overview of these domains.

25 ENERGY STORAGE↗

DOE OSTI2016

Warthog: Progress on Coupling BISON and PROTEUS

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program from the Office of Nuclear Energy at the Department of Energy (DOE) provides a robust toolkit for modeling and simulation of current and future advanced nuclear reactor designs. This toolkit provides these technologies organized across product lines, with two divisions targeted at fuels and end-to-end reactor modeling, and a third for integration, coupling, and high-level workflow management. The Fuels Product Line (FPL) and the Reactor Product Line (RPL) provide advanced computational technologies that serve each respective field effectively. There is currently a lack of integration between the product lines, impeding future improvements of simulation solution fidelity. In order to mix and match tools across the product lines, a new application called Warthog was produced. Warthog is built on the Multi-physics Object-Oriented Simulation Environment (MOOSE) framework developed at Idaho National Laboratory (INL). This report details the continuing efforts to provide the Integration Product Line (IPL) with interoperability using the Warthog code. Currently, this application strives to couple the BISON fuel performance application from the FPL using the PROTEUS Core Neutronics application from the RPL. Warthog leverages as much prior work from the NEAMS program as possible, enabling interoperability between the independently developed MOOSE and SHARP frameworks, and the libMesh and MOAB mesh data formats. Previous work performed on Warthog allowed it to couple a pin cell between the two codes. However, as the temperature changed due to the BISON calculation, the cross sections were not recalculated, leading to errors as the temperature got further away from the initial conditions. XSProc from the SCALE code suite was used to calculate the cross sections as needed. The remainder of this report discusses the changes to Warthog to allow for the implementation of XSProc as an external code. It also discusses the changes made to Warthog to allow it to fit more cleanly into the MultiApp syntax of the MOOSE framework. The capabilities, design, and limitations of Warthog will be described, in addition to some of the test cases that were used to demonstrate the code. Future plans for Warthog will be discussed, including continuation of the modifications to the input and coupling to other SHARP codes such as Nek5000.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Final Report from The University of Texas at Austin for DEGAS: Dynamic Global Address Space programming environments

The Dynamic, Exascale Global Address Space programming environment (DEGAS) project will develop the next generation of programming models and runtime systems to meet the challenges of Exascale computing. Our approach is to provide an efficient and scalable programming model that can be adapted to application needs through the use of dynamic runtime features and domain-specific languages for computational kernels. We address the following technical challenges: Programmability: Rich set of programming constructs based on a Hierarchical Partitioned Global Address Space (HPGAS) model, demonstrated in UPC++. Scalability: Hierarchical locality control, lightweight communication (extended GASNet), and ef- ficient synchronization mechanisms (Phasers). Performance Portability: Just-in-time specialization (SEJITS) for generating hardware-specific code and scheduling libraries for domain-specific adaptive runtimes (Habanero). Energy Efficiency: Communication-optimal code generation to optimize energy efficiency by re- ducing data movement. Resilience: Containment Domains for flexible, domain-specific resilience, using state capture mechanisms and lightweight, asynchronous recovery mechanisms. Interoperability: Runtime and language interoperability with MPI and OpenMP to encourage broad adoption.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Integrated Smart Distribution RD&D Project Final Technical Report

Title XIII of the Energy Independence and Security Act of 2007 (EISA), tasked OE with accelerating the commercialization, deployment and integration of advanced digital systems that are needed to modernize the nation’s electricity delivery network for enhanced interoperability and cyber security. To support this mandated task, a goal of the SGR&D Program is to develop technology with the ability to dynamically optimize grid operations and resources and incorporate demand response and consumer participation. The majority of historical research and development in the domain of distribution management systems (DMS) had focused on classical, radial and passive networks with one-way power flow from transmission to distribution systems and thus to the end customer. With the focus on customers, a bottom-up approach required a completely new thinking in real-time operations, and automation, of smart distribution systems. Thus, the GE team embarked on a project with a plan of two distinct phases. Work during the first phase concentrated on research and development (R&D) for the first three years. The second phase, lasting approximately two years, accomplished the demonstration of the use cases developed during the first phase, with further sharing and dissemination of the research at industry events. The consolidated technical scope of the project can be summarized into the following six areas: Advanced distribution modeling capability to accurately simulate/model smart grid operations. Accurate representation of the distribution system in real- or near real-time (capture real-time topology). Interoperability with, and seamless communication between, other management systems and databases used by the utility Simulation of distribution systems based on real-time operational planning to analyze the benefits of smart grid assets. Integration of network, market, and renewable resource models for next generation DMS. Management and forecasting of DER (Distributed Generation, Storage, Demand Response).

14 SOLAR ENERGY↗

DOE OSTI2017

Creation of System Validation Platform

The objective of this CRADA between Sandia National Laboratories (SNL) and SunSpec Alliance (SunSpec) was to create a software test platform called the System Validation Platform (SVP) that performs end-to-end certification testing of photovoltaic (PV) inverters, energy storage systems, and other distributed energy resources (DERs). The SVP automates interactions of test equipment (PV and grid simulators), data acquisition systems, and interoperable DERs to certify the devices for advanced grid-support functions and interoperability. To assist electricity grid, operators maintain voltage and frequency, new interconnection requirements in the U.S. and Europe require DERs to have grid-support functions with adjustable settings. Automating the certification process for DER devices impacts the bottom line of NRTLs because they do not need to rely on test engineers running days (or weeks) of experiments to validate the performance of the equipment. These savings can then be passed down to the DER vendors so the certification process becomes less expensive and lowers the barrier to market for PV inverters, charge controllers, and other grid-interconnected equipment. This technology can also be used as a research platform for SNL, other national labs, and universities that would like to run hardware tests with power electronics equipment.

14 SOLAR ENERGY↗

DOE OSTI2019

Passively-Powered Adaptively-Located Flexible Hybrid Sensors Final Report

PARC, a Xerox Company, is developing a low-cost system of peel-and-stick wireless sensors that will enable widespread building environment sensor deployment with the potential to deliver up to 30% energy savings. The system is embodied by a set of RF hubs that provide power to the automatically located sensor nodes, and relays data wirelessly to the building management system (BMS). The sensor nodes are flexible electronic labels powered by rectified RF energy transmitted by a RF hub and can contain multiple printed and conventional sensors. The system design overcomes limitations in wireless sensors related to power delivery, lifetime, and cost by eliminating batteries and photovoltaic devices. The sensor label can be equipped with a variety of printed and conventional sensors for building energy optimization, including lighting, occupancy, temperature, humidity, motion, and air quality. A key advantage of this system is its ability to automatically locate multiple sensor nodes to within 0.5 m (at a 5-m read distance) for simplified commissioning, as well as its interoperability with a wide range of existing BMS hardware and software. This enables automatic sensor reconfiguration and recommissioning, which is an important cost reduction driver. Moreover, the sensors are compatible with low-cost-, high-throughput roll-to-roll manufacturing, further reducing system costs. Upon successfully developing, manufacturing and deploying the system with optimized control, it can lead to annual primary energy savings >280 TBtu in offices, and up to ~1850 TBtu in combined offices and residences. The technology is based on PARC innovations in small antenna design, efficient RF energy capture, and flexible electronics. PARC is a leader in flexible hybrid integration similar to what is used in current RFID tags, which will provide a low-cost system in a flexible form factor. Our team member, Energy ETC, is a leader in supplier-agnostic BMS deployments, and will design the commissioning and deployment procedures to maximize system interoperability. The project will result in a demonstrator that will provide temperature and humidity data and will be wirelessly integrated into PARC’s BMS.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Open V2X at ESIF: June 2015 - February 2017 (Final Report)

The University of Delaware (UD), and their industrial partners, have carried out testing, documentation, and standards development at ESIF. These activities are intended to help meet the objective of NREL's INTEGRATE program, to enable clean energy technologies to increase the hosting capacity of the grid, by providing grid services in a holistic manner using an open source, interoperable platform. In particular, the 'Open V2X at ESIF' project worked to facilitate standardization and interoperability for Electric Vehicle technologies, including battery electric vehicles and plug-in hybrid vehicles (hence EV) to provide grid services. This was done by interconnecting and testing EV and EVSE (charging station) hardware from different manufacturers, by developing standards and test protocols for standards, and by documenting new protocols to be proposed as standards. Contractor-supplied equipment used in the testing included Vehicle Smart Links (VSLs) installed in an EV and School Bus, single-phase and three-phase charging stations, and an optimizing aggregator (software running on a server, hence just 'Aggregator'). The Aggregator software was developed by U of Delaware and is now licensed to Nuvve Corp for commercial development, and licensed to NRG/EVgo for demonstrations. The Aggregator monitors capacity and operations of the EVs and EVSEs, dispatches them in response to requests, and reports their operations and metered power flow. In operation, as vehicles move, plug-in and unplug, the aggregator tracks the total capacity available within a defined jurisdiction or RTO (Regional Transmission Organization, synonym for ISO or TSO), and dispatches part or all of that capacity based on market or direct dispatch signals from a grid entity. The VSL is the data acquisition and control module in the resource itself (EVSE or EV), with rich communication between a single Optimizing Aggregator and many VSL (one in each resource). All requests and dispatch events are also logged by the aggregator to make the provision of grid power auditable. For these tests, the dispatch was typically a recorded signal, the VSL was in the EV or EVSE, and the recording of experimental performance was often carried out by the normal logging functions of the aggregator.

24 POWER TRANSMISSION AND DISTRIBUTION↗