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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14

Algorithm Development for Targeted Isotopics, RSLA-002-17, Year 1 of 3

This presentation emphasizes a data-driven method for utilizing machine learning approaches to solve the problem of isotopic identification and create new machine learning algorithms. The presentation suggests that, by using multiple libraries and software packages to train over much larger quantities of data than have been used in the past, predictive models can not only accurately identify isotopes, but can also provide additional information about the radiation background.

algorithm development, machine learning↗

Vector send operation for message-based communication

Methods and systems for conducting vector send operations are provided. The processor of a sender node receives a request to perform a collective send operation (e.g., MPI_Broadcast) from a user application, requesting a copy of data in one or more send buffers by sent to each of a plurality of destinations in a destination vector. The processor invokes a vector send operation from a software communications library, placing a remote enqueue atomic send command for each destination node of the destination vector in an entry of a transmit data mover (XDM) command queue in a single call. The processor executes all of the commands in the XDM command queue and writes the data in the one or more send buffers into each receive queue of each destination identified in the destination vector.

Byrne, John L.↗

COG11.1 description, new features, and development activities - 14521

The latest COG code version, COG11.1, is now available. New features include: hybrid criticality detector variance reduction (CritDetVR); delayed fission gammas (DFG); nuclear resonance fluorescence (NRF); radiation sources (RadSrc); an updated COG dictionary (COGLEX); and additional nuclear data libraries. Ongoing software quality assurance and code development activities are also described. (authors)

42 ENGINEERING↗

Software Quality Assurance and Verification for the MPACT Library Generation Process

This report fulfills the requirements for the Consortium for the Advanced Simulation of Light-Water Reactors (CASL) milestone L2:RTM.P14.02, “SQA and Verification for MPACT Library Generation,” by documenting the current status of the software quality, verification, and acceptance testing of nuclear data libraries for MPACT. It provides a brief overview of the library generation process, from general-purpose evaluated nuclear data files (ENDF/B) to a problem-dependent cross section library for modeling of light-water reactors (LWRs). The software quality assurance (SQA) programs associated with each of the software used to generate the nuclear data libraries are discussed; specific tests within the SCALE/AMPX and VERA/XSTools repositories are described. The methods and associated tests to verify the quality of the library during the generation process are described in detail. The library generation process has been automated to a degree to (1) ensure that it can be run without user intervention and (2) to ensure that the library can be reproduced. Finally, the acceptance testing process that will be performed by representatives from the Radiation Transport Methods (RTM) Focus Area prior to the production library’s release is described in detail.

97 MATHEMATICS AND COMPUTING↗

Then and Now: Improving Software Portability, Productivity, and 100× Performance

The US Exascale Computing Project (ECP) has succeeded in preparing applications to run efficiently on the first reported Exascale supercomputers in the world. To achieve this, it modernized the whole leadership software stack, from libraries to simulation codes. In this article, we contrast selected leadership software before and after ECP. We discuss how sustainable research software development for leadership computing can embrace the conversation with the hardware vendors, the leadership computing facilities, the software community, and the domain scientists who are the application developers and integrators of software products. We elaborate on how software needs to take portability as a central design principle and to benefit from interdependent teams; we also demonstrate how moving to programming languages with high momentum, like modern C++, can help improve the sustainability, interoperability, and performance of research software. Finally, we showcase how cross-institutional efforts can enable algorithm advances that are beyond incremental performance optimization.

97 MATHEMATICS AND COMPUTING↗

Integrating Visualization Applications, such as ParaView, into HEP Software Frameworks for In-situ Event Displays

ParaView is a high performance visualization application not widely used in High Energy Physics (HEP). It is a long standing open source project led by Kitware and involves several Department of Energy (DOE) and Department of Defense (DOD) laboratories. Futhermore, it has been adopted by many DOE supercomputing centers and other sites. ParaView is unique in speed and efficiency by using state-of-the-art techniques developed by the academic visualization community that are often not found in applications written by the HEP community. In-situ visualization of events, where event details are visualized during processing/analysis, is a common task for experiment software frameworks. Kitware supplies Catalyst, a library that enables scientific software to serve visualization objects to client ParaView viewers yielding a real-time event display. Connecting ParaView to the Fermilab art framework will be described and the capabilities it brings discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

User Guide for the Plotting Software for the Los Alamos National Laboratory Nuclear Weapons Analysis Tools Version 2.0

The Los Alamos National Laboratory Plotting Software for the Nuclear Weapons Analysis Tools is a Java™ application based upon the open source library JFreeChart. The software provides a capability for plotting data on graphs with a rich variety of display options while allowing the viewer interaction via graph manipulation and scaling to best view the data. The graph types include XY plots, Date XY plots, Bar plots and Histogram plots.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

FOX: A Fault Oblivious Extreme-Scale Execution Environment

The FOX project, funded under the ASCR X-stack I program, developed systems software and runtime libraries for a new approach to the data and work distribution for massively parallel, fault oblivious application execution. Our work was motivated by the premise that exascale computing systems will provide a thousand-fold increase in parallelism and a proportional increase in failure rate relative to today’s machines. To deliver the capability of exascale hardware, the systems software must provide the infrastructure to support existing applications while simultaneously enabling efficient execution of new programming models that naturally express dynamic, adaptive, irregular computation; coupled simulations; and massive data analysis in a highly unreliable hardware environment with billions of threads of execution. Our OS research has prototyped new methods to provide efficient resource sharing, synchronization, and protection in a many-core compute node. We have experimented with alternative task/dataflow programming models and shown scalability in some cases to hundreds of thousands of cores. Much of our software is in active development through open source projects. Concepts from FOX are being pursued in next generation exascale operating systems. Our OS work focused on adaptive, application tailored OS services optimized for multi → many core processors. We developed a new operating system NIX that supports role-based allocation of cores to processes which was released to open source. We contributed to the IBM FusedOS project, which promoted the concept of latency-optimized and throughput-optimized cores. We built a task queue library based on distributed, fault tolerant key-value store and identified scaling issues. A second fault tolerant task parallel library was developed, based on the Linda tuple space model, that used low level interconnect primitives for optimized communication. We designed fault tolerance mechanisms for task parallel computations employing work stealing for load balancing that scaled to the largest existing supercomputers. Finally, we implemented the Elastic Building Blocks runtime, a library to manage object-oriented distributed software components. To support the research, we won two INCITE awards for time on Intrepid (BG/P) and Mira (BG/Q). Much of our work has had impact in the OS and runtime community through the ASCR Exascale OS/R workshop and report, leading to the research agenda of the Exascale OS/R program. Our project was, however, also affected by attrition of multiple PIs. While the PIs continued to participate and offer guidance as time permitted, losing these key individuals was unfortunate both for the project and for the DOE HPC community.

97 MATHEMATICS AND COMPUTING↗

Portable Software Environment for Ultrahigh-Resolution ELM Development on GPUs

This paper presents our endeavors in developing the large-scale, ultra-high-resolution E3SM Land Model (uELM), specifically designed for exascale computers furnished with accelerators such as Nvidia GPUs. The uELM is a sophisticated code that substantially relies on High-Performance Computing (HPC) environments, necessitating particular machine and software configurations. To facilitate community-based uELM developments employing GPUs, we have created a portable, standalone software environment preconfigured with uELM input datasets, simulation cases, and source code. This environment, utilizing Docker, encompasses all essential code, libraries, and system software for uELM development on GPUs. It also features a functional unit test framework and an offline model testbed for comprehensive numerical experiments. From a technical perspective, the paper discusses GPU-ready container generations, uELM code management, and input data distribution across computational platforms. Lastly, the paper demonstrates the use of environment for functional unit testing, end-to-end simulation on CPUs and GPUs, and collaborative code development.

E3SM Land Model↗

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗

Software Deployment Process at NERSC: Deploying the Extreme-scale Scientific Software Stack (E4S) Using Spack at the National Energy Research Scientific Computing Center (NERSC)

One of the many benefits of using a high-performance computing (HPC) system at a Department of Energy (DOE) Office of Science (SC) HPC facility is the large number of software products, built and optimized for the system. The HPC center staff and HPC vendors provide optimized software such as libraries and even full scientific applications, ready to be used by users as building blocks to accelerate scientific discovery. Behind each provided packaged software module are a large number of decisions - which compiler, optimizations, variants/options - to build the software on the target system. And, even before the software gets deployed, the software must be developed, tested, and maintained, including deprecating old versions and ensuring compatibility across versions. The software lifecycle is complex and is further convoluted by a web of interdependencies on other software.

97 MATHEMATICS AND COMPUTING↗

NetDuid

SAND2025-00238O The NetDuid library is a software tool that can manage and manipulate DHCP Unique Identifiers (DUIDs) in .NET applications. It simplifies the process of working with DUIDs by offering functionalities such as parsing, constructing, comparing, checking equality, and formatting DUIDs. The library supports various types of DUIDs, making it easier for developers to handle these identifiers in their applications. The program fills a gap in the .NET/C# ecosystem by providing a specialized tool for managing DHCP Unique Identifiers, offering a straightforward and efficient solution for developers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Engelhardt, Robert↗

AXEAP (ARGONNE X-RAY EMISSION PACKAGE)

Argonne X-ray Emission Package (AXEAP), a singular purpose software package for processing X-ray emission (XES) images collected with a 2-dimensional position sensitive pixel array detector, has been developed. AXEAP can rapidly convert XES image files into a spectral form by applying parallel computation and unsupervised machine learning to compute vast amount of image data. Special focus has been placed on designing user-friendly-interface for processing multiple edges, non-resonant and resonant x-ray emission image analysis, in order to make data processing quick and easy. AXEAP is free software and is written in MATLAB, armed with powerful libraries and toolboxes. The software runs on all common operating systems such as Linux, Window, and Mac.

SUN, CHENGJUN↗

SEAS Communication Engine: An Extensible, Flexible Wrapper for Co-Simulation Agents

When modeling and analyzing the power grid and other large scale systems, researchers often express scenarios as optimization problems and feed them into advanced software solvers. In order to allow multiple solvers to communicate with each other and share data from different domains, the National Renewable Energy Laboratory (NREL) and associated Department of Energy (DOE) labs have developed a software framework called the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). HELICS allows cosimulation via a collection of client libraries for different languages that can be called from the appropriate optimization software. However, these client libraries do not provide a higher level of abstraction beyond reading and writing data off of the shared HELICS bus. In this paper, we describe a new software library called the SEAS Communication Engine that exposes a higher-level API for running cosimulation problems. The SEAS Engine provides a class-based abstraction on top of the Python HELICS client, in order to allow users to implement their domain-specific cosimulations without needing to interact with core HELICS primitives. This will make adoption of HELICS and cosimulation in general easier, by exposing a simpler API. In the second part of the paper, we validate our library on a collection of different simulation examples, including the canonical IEEE 13 Bus Feeder. Lastly, we demonstrate using the SEAS Engine to directly call domain-specific code written in the Julia programming language. Our hope is that this will serve as a template for easily calling software in different programming languages via the SEAS Engine, thereby avoiding code duplication and complexity.

co-simulation↗

Safety Risk Reliability Model Library

SR2ML is a software package which contains a set of safety and reliability models designed to be interfaced with the INL developed RAVEN code. These models can be employed to perform both static and dynamic system risk analysis and determine risk importance of specific elements of the considered system. Two classes of reliability models have been developed; the first class includes all classical reliability models (Fault-Trees, Event-Trees, Markov models and Reliability Block Diagrams) which have been extended to deal not only with Boolean logic values but also time dependent values. The second class includes several components aging models. Models of these two classes are designed to be included in a RAVEN ensemble model to perform time dependent system reliability analysis (dynamic analysis). Similarly, these models can be interfaced with system analysis codes to determine failure time of systems and evaluate accident progression (static analysis).

Wang, Congjian↗

H3D Data Acquisition Software (H3DDAQ) v1.0

A python library to enable readout of data from commercial H3D gamma-ray detectors. This software perform readout of data and system status, as well as starting and stopping measurements, with either WebREST (HTTP), XML (N42.42), or Binary (FlatBuffers) interfaces.

Joshi, Tenzing↗

User Environment Tracking and Problem Detection with XALT

This work improves our understanding of individual users software needs, then leverages that understanding to help stakeholders conduct business in a more efficient, effective, and systematic way. The product, XALT, builds on work that is already improving the user experience and enhancing support programs for thousands of users on twelve supercomputers across the United States and Europe. XALT will instrument individual jobs on high-end computers to generate a picture of the compilers, libraries, and other software that users need to run their jobs successfully. It will highlight the products our researchers need and do not need, and alert users and support staff to the root causes of software configuration issues as soon as the problems occur. A key objective of this work is generating the information needed to improve efficiency and effectiveness for an extensive community of stakeholders including users, sponsoring institutions, support organizations, and development teams. Efficiency, effectiveness, and responsible stewardship each require a clear picture of users needs. XALT is an important step in the quest to achieve that clarity.

Agrawal, Kapil↗