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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 73 records · Page 4

Accelerating the Inference of the Exa.TrkX Pipeline

Recently, graph neural networks (GNNs) have been successfully used for a variety of particle reconstruction problems in high energy physics, including particle tracking. The Exa.TrkX pipeline based on GNNs demonstrated promising performance in reconstructing particle tracks in dense environments. It includes five discrete steps: data encoding, graph building, edge filtering, GNN, and track labeling. All steps were written in Python and run on both GPUs and CPUs. In this work, we accelerate the Python implementation of the pipeline through customized and commercial GPU-enabled software libraries, and develop a C++ implementation for inferencing the pipeline. The implementation features an improved, CUDA-enabled fixed-radius nearest neighbor search for graph building and a weakly connected component graph algorithm for track labeling. GNNs and other trained deep learning models are converted to ONNX and inferenced via the ONNX Runtime C++ API. The complete C++ implementation of the pipeline allows integration with existing tracking software. We report the memory usage and average event latency tracking performance of our implementation applied to the TrackML benchmark dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Earthdata User Interface (EUI) Library

As more remote sensing data moves to the cloud, the design tools we use to build user experiences and visualizations need to change and adapt to make the best use this new data reality. EUI 2.0, the next major iteration of the Earthdata User Interface Library, aims to make creating rich user experiences around NASA's Earth Observation System Data and Information System (EOSDIS) data easy and user-friendly. Building on a solid framework of design components, EUI 2.0 will be open source and have off-the-shelf integration with the Common Metadata Repository (CMR), basic mapping and visualization tools, a refreshed design toolkit for building apps and websites that fit the Earthdata design theme and guidelines. EUI 2.0 will allow for the rapid development of websites and applications based on EOSDIS tools and data holdings. It will also make use of cloud data availability to enable data visualization and analysis without the need to download and sync data.

Siarto, Jeff↗

The NOvA Test Beam Experiment

aThe motivation for the NOvA test beam project is to understand a number of limiting factors that impinges the NOvA's analyses. These factors include the detector’s hadronic and electromagnetic shower response, light yield and optical transportation, as well as discrepancies between data and MC modeling of the detector. In addition, the test beam setup will collect data to build a large libraries of particle interactions at well-known energies, which would later become a useful input in the development of better data driven PID algorithms for NOvA's analyses. The main component of the experiment - two 2$\times$2$\times$32 blocks, filled with NOvA liquid scintillator - is placed along the MC7 beamline to study the interaction with beam particles. The tertiary beam composes primarily of protons and pions as well as a discernible contribution from electrons, muons and kaons, all within a momentum range from 0.3 to 2 GeV$/c$. The PID and kinematics of beam particles will be determined by the auxiliary detectors including four MWPCs, two TOFs and a CO$_2$ gas Cherenkov counter. In this poster, recent status on beamline instrumentation, data acquisition, simulation, momentum reconstruction and PID will be presented. Also, implications for the neutrino oscillation measurements will be discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Berkeley eXtensible Environment (BXE) v3

The Berkeley eXtensible Environment (BXE) provides a cloud environment for hardware designers and computer architects to design, build, and simulate their custom architectures on an on-premises FPGA cluster. Utilizing the Chipyard, MoSAIC, and FireSim frameworks, users are provided an environment where they can assemble SoC designs from an existing library of components or import their own source code. Once their designs are ready, they can utilize the FireSim framework provided by BXE to deploy and simulate their designs on the FPGA. Users aren't limited to a single FPGA; they can deploy multiple instances across multiple FPGAs, acting like a rack of servers, or partition their large design across multiple FPGAs, ganging multiple FPGAs into a single simulated system.

Fatollahi-Fard, Farzin↗

Yet Another NLA Library: T-LAPACK

In recent years, Randomized numerical linear algebra (RandNLA) proved to be more than a theoretical novelty: projects like RandLAPACK demonstrate its practical value across architectures, and projects like RandBLAS build trust in randomization as a tool for high-performance NLA. This BoF considers two main questions. First, what are the pressing issues in software standards and implementation that need to be resolved for RandNLA to become a core component of HPC? Second, how can we mobilize a community effort to make progress on these issues? The BoF will engage the audience to discuss the idea of growing the role of RandNLA in high-performance computing and what it would take to scale from niche prototypes to robust, production-quality software libraries.

97 MATHEMATICS AND COMPUTING↗

Coupling subsurface and above-surface models for optimizing the design of borefields and district heating and cooling systems in the presence of varying water-table depth. In: Proceedings, 46th Workshop on Geothermal Reservoir Engineering

Dynamic energy simulation is important for the design and sizing of district heating and cooling systems with geothermal heat exchange. Current modeling approaches in building and district energy simulation tools typically consider heat conduction through the ground between boreholes, without flow of groundwater. On the other hand, detailed simulation tools for subsurface heat and mass transfer exist, but these fall short in simulating above-surface energy systems. To support the design and operation of such systems, we have developed a coupled model including a software package for building and district energy simulation, and software for detailed heat and mass transfer in the ground. For the first, we use the open-source Modelica Buildings Library, which includes dynamic simulation models for building and district energy and control systems. For the heat and mass transfer in the soil, we use the TOUGH simulator. TOUGH can model heat and multi-phase, multi-component mass transport for a variety of fluid systems, as well as chemical reactions, in fractured porous media. In previous work, we described the coupling of these software packages, including how time-dependent boundary conditions for the borehole walls are synchronized for use in Modelica and TOUGH. We verified that the coupled Modelica/TOUGH code produced consistent results with the original Modelica code for an idealized problem in which heat transfer was purely by conduction in a uniform geologic medium. Here, we examine less idealized problems for which TOUGH’s advanced capabilities for modeling fluid flow are required. The first problem has a shallow vadose zone, and the second problem has a thicker vadose zone with a water-table depth that varies in time, which requires a fine vertical grid discretization for the TOUGH model.

Doughtry, Christine↗

ABLEPathPlanner library for Umbra

Umbra contains a flexible, modular path planner that is used to simulate complex entity behaviors moving within 3D terrain environments that include buildings, barriers, roads, bridges, fences, and a variety of other terrain features (water, vegetation, slope, etc…). The path planning algorithm is a critical component required to execute these tactical behaviors to provide realistic entity movement and provide efficient system computing performance.

Oppel III, Fred J↗

Working with Multiple MPIs: Overcoming ABI Incompatibility

Scientific applications rely on third-party libraries, which may have multiple implementations. While sharing an application programming interface (API), many of these implementations do not have a shared application binary interface (ABI) and require recompiling. Recompiling can be a long and complex process and sometimes not even an option when the application is shipped binary only. ABI incompatibility strikes at the heart of portability, productivity, and performance by (1) impeding application execution across different HPC and Cloud systems; (2) adding developer hours rebuilding an application; and (3) not taking advantage of host-optimized libraries. This tutorial teaches attendees a portable way to address ABI incompatibility in MPI using the Wi4MPI library. Wi4MPI translates the ABI dynamically from the MPI library used to build the application to a different MPI library available at run time. With Wi4MPI, HPC practitioners can break the portability barrier imposed by ABI incompatibility, potentially increase performance, and increase user productivity. The tutorial is broken down in three components: (1) Understanding ABI compatibility in MPI; (2) Translating MPI libraries dynamically; and (3) Applying dynamic translation to key use cases in HPC, including Containers. If you use more than one MPI library or supercomputer, this tutorial is for you.

97 MATHEMATICS AND COMPUTING↗

Mission interactive scenarion studio for autonomous spacecraft

We propose building a Studio enabling the use of diverse existing mission activity and scenario patterns, the creation of new ones, and the modeling of their effects using existing modeling tools. The core of the Studio is a component-based Type Library, which captures years of mission adaptation patterns in various forms. The Studio works as a content server to capture the developed adaptation knowledge for reuse and provides bridging into different mission uplink implementations, including the Mission Data System [l] (MDS) state/goal machinery. Various activities can be coordinated, controlled, and reused through the Studio's component interface to establish and model a mission scenario. A special component Factory mechanism will be in place to facilitate the adaptation of projects into the Studio. The architecture of the Studio reflects and enforces a division of knowledge and actions into three parts: Model, Controller, Viewer. The Model contains information about (a proposed version of) the spacecraft and mission. The Controller contains logic for constructing scenarios of mission activities. The information in the Model and Controller is principally in the form of reusable patterns. A Viewer can be a simple or complex software system. For example, Apgen [2,3] is one possible viewer, MDS is another. A 3-tiered infrastructure is used for the Studio, reflecting the Model, Controller, Viewer architecture [4,5]. The Studio is useful in pre-phase A of a project by enabling spacecraft design options to be played against desired mission scenarios. In later design phases of a project, the construction and modeling of more detailed scenarios is supported by the Studio.

autonomous spacecraft↗

Development of a web-based screening tool for ground source heat pump applications

Ground source heat pump (GSHP) technology has great potential to help the nation meet its energy and decarbonization goals, but several barriers hinder the wide application of GSHP. Important barriers include the lack of a coherent toolset for analyzing the technical feasibility and economic viability of the GSHP application. The current design and analysis methods are ineffective and require significant expertise to apply. Although building energy modeling is increasingly important in designing buildings, the tools for GSHP modeling and simulation are lacking. A web-based free-to-use tool is being developed for quick techno-economic analysis of GSHP applications in nearly any building in the United States. This tool is enabled by improvements in the calculation methodology to allow rapid sizing of borehole configurations that provide significant cost savings. The screening tool currently uses US Department of Energy (DOE) prototype building models and an extended g-function library to size ground heat exchangers and simulate the performance of GSHP systems. The team is integrating with DOE's Oak Ridge National Laboratory's AutoBEM program to automatically create a building model based on user inputs. This paper introduces the structure, components, features, and results of the web-based screening tool for GSHP applications. Future directions for further developing the tool are also discussed.

Liu, Xiaobing↗

TRSkit: A Simple Digital Library Toolkit

This paper introduces TRSkit, a simple and effective toolkit for building digital libraries on the World Wide Web. The toolkit was developed for the creation of the Langley Technical Report Server and the NASA Technical Report Server, but is applicable to most simple distribution paradigms. TRSkit contains a handful of freely available software components designed to be run under the UNIX operating system and served via the World Wide Web. The intended customer is the person that must continuously and synchronously distribute anywhere from 100 - 100,000's of information units and does not have extensive resources to devote to the problem.

Nelson, Michael L.↗

Fast synchronization-free algorithms for parallel sparse triangular solves with multiple right-hand sides

The sparse triangular solve kernels, SpTRSV and SpTRSM, are important building blocks for a number of numerical linear algebra routines. Parallelizing SpTRSV and SpTRSM on today's many-core platforms, such as GPUs, is not an easy task since computing a component of the solution may depend on previously computed components, enforcing a degree of sequential processing. As a consequence, most existing work introduces a preprocessing stage to partition the components into a group of level-sets or colour-sets so that components within a set are independent and can be processed simultaneously during the subsequent solution stage. However, this class of methods requires a long preprocessing time as well as significant runtime synchronization over-heads between the sets. To address this, we

HPC↗

Developing a Vision for Heliophysics Infrastructure: The LIKED Resource and the DIARieS Ecosystem

Heliophysics data and computational infrastracture are not equipped for 21st science, suffering from holes in the know-how to build better systems. Without a clear vision, efforts to improve the infrastructure have been incremental and incoherent. This poster presents both the vision and the technology required: an online LIbrary KnowledgE and Discovery (LIKED) resource for discovering and implementing knowledge, data, and infrastructure resources; and an online analysis ecosystem to simplify Discovery, Implementation, Analysis, Reproducibility, and Sharing (DIARieS) of scientific results and environments. The LIKED and DIARieS solutions adopt FAIR data principles and the best practices from the budding field of open science. The proposed new infrastructure components will close many of the current gaps in heliophysics’ infrastructure, such as the ability to search for data and knowledge by phenomenon across domains, and to find software and examples relevant to the desired data set (including model data). Further, these components will enable community members to more efficiently use the resources already present and improve upon the content via a community-curated and trusted library. Combining these solutions lowers the barriers to heliophysics resources for all, increasing the return on our investments. Finally, the structure behind these ideas are topic-agnostic, so they are fully extensible to other fields, leading to invaluable connections to other disciplines. Just as with the development and construction of a long-term satellite mission, we must work together as a community to build a vision of the infrastructure that will most benefit the community, and then collaborate to construct, assemble, and test all the necessary pieces individually and as a unit. Our purpose in presenting this work is to not only describe the proposed vision, but also to gather feedback from the community on this topic.

infrastructure↗

ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design

Computational catalyst design requires identification of a metal and ligand that together result in the desired reaction reactivity and/or selectivity. A major impediment to translating computational designs to experiments is evaluating ligands that are likely to be synthesized. Here we provide a solution to this impediment with our ReaLigands library that contains >30,000 monodentate, bidentate (didentate), tridentate, and larger ligands cultivated by dismantling experimentally reported crystal structures. Individual ligands from mononuclear crystal structures were identified using a modified depth-first search algorithm and charge was assigned using a machine learning model based on quantum-chemical calculated features. In the library ligands are sorted based on direct ligand-to-metal atomic connections and on denticity. Representative principal component analysis (PCA) and uniform manifold approximation and projection (UMAP) analyses were used to analyze several tridentate ligand categories, which revealed both the diversity of ligands and connections between ligand categories. Furthermore, we also demonstrated the utility of this library by implementing it with our building and optimization tools, which resulted in the very rapid generation of barriers for 750 bidentate ligands for Rh-hydride ethylene migratory insertion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CASTLE: Conflict Analysis Strategy Testing Laboratory Environment v.1.0.0

SAND2024-01743O The Conflict Analysis Strategy Testing Laboratory Environment (CASTLE) is a software framework that enables and simplifies building a novel, turn-based strategy game in which it can define its own rules, maps, pieces, and interactions. The software is for novice to experienced programmers with some knowledge of Unity3D, a tool used in game production. CASTLE includes a library of common game mechanics used for strategic wargames and traditional board games, such as cards, tokens, dice, and grid maps. It follows design principles popularized by the video game industry and uses singletons for managing portions of the code. CASTLE builds on Unity's component-based design and can respond to engine events during execution. Among the numerous user-friendly features: Build games quickly and cost-effectively Network in real-time and apply data to new games developed on the framework Host multiple participants online Connect rule- or machine learning-based agents to a CASTLE game to serve as opponents or to simulate games Collect data collection from players and in-game behaviors Create a survey to gather demographics or opinions from players Store data locally or save it to an external database through Representational State Transfer (REST) functions CASTLE, which was prototyped using Microsoft Azure, is also designed for easily distributing online games using popular cloud services. The multiplayer functionality includes an agent interface, allowing developers to construct AI players that can substitute for humans in any of the games. 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.

Fabian, Nathan↗

SHARP pre-release v1.0 - Current Status and Documentation

The NEAMS Reactor Product Line effort aims to develop an integrated multiphysics simulation capability for the design and analysis of future generations of nuclear power plants. The Reactor Product Line code suite’s multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. In this report, building on a several previous report issued in September 2014, we describe our continued efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor core in preparation for a unified release of the toolkit. The work reported in the current document covers the software engineering aspects of managing the entire stack of components in the SHARP toolkit and the continuous integration efforts ongoing to prepare a release candidate for interested reactor analysis users. Here we report on the continued integration effort of PROTEUS/Nek5000 and Diablo into the NEAMS framework and the software processes that enable users to utilize the capabilities without losing scientific productivity. Due to the complexity of the individual modules and their necessary/optional dependency library chain, we focus on the configuration and build aspects for the SHARP toolkit, which includes capability to autodownload dependencies and configure/install with optimal flags in an architecture-aware fashion. Such complexity is untenable without strong software engineering processes such as source management, source control, change reviews, unit tests, integration tests and continuous test suites. Details on these processes are provided in the report as a building step for a SHARP user guide that will accompany the first release, expected by Mar 2016.

Mahadevan, Vijay S.↗

A Modeling Toolkit for Comparing AC and DC Electrical Distribution Efficiency in Buildings

Recently, there has been considerable research interest in the potential for DC distribution systems in buildings instead of the traditional AC distribution systems. Due to the need for performing power conversions between DC and AC electricity, DC distribution may provide electrical efficiency advantages in some systems. To support comparative evaluations of AC-only, DC-only, and hybrid AC/DC distribution systems in buildings, a new modeling toolkit called the Building Electrical Efficiency Analysis Model (BEEAM) was developed and is described in this paper. To account for harmonics in currents or voltages arising from nonlinear devices, the toolkit implements harmonic power flow, along with nonlinear device behavioral descriptions derived from empirical measurements. This paper describes the framework, network equations, device representations, and an implementation of the toolkit in an open source software package, including a component library and graphical interface for creating circuits. Simulations of electrical behavior and device and system efficiencies using the toolkit are compared with experimental measurements of a small office environment in a variety of operating and load configurations. A detailed analysis of uncertainty estimation is also provided. Key findings were that a comparison of predicted versus measured efficiencies and power losses in the validation testbed using the initial toolkit implementation predicted device- and system-level efficiencies with reasonably good accuracy under both balanced and unbalanced AC scenarios. An uncertainty analysis also revealed that the maximum estimated error for system efficiency across all scenarios was 3%, and measured and modeled system efficiency agreed within the experimental uncertainty in approximately half of the scenarios. Based on the correspondence between simulation and measurement, the toolkit is proposed by the authors as a potentially useful tool for comparing efficiency in AC, DC, and hybrid AC/DC distribution systems in buildings.

DC distribution↗

The AI Bus architecture for distributed knowledge-based systems

The AI Bus architecture is layered, distributed object oriented framework developed to support the requirements of advanced technology programs for an order of magnitude improvement in software costs. The consequent need for highly autonomous computer systems, adaptable to new technology advances over a long lifespan, led to the design of an open architecture and toolbox for building large scale, robust, production quality systems. The AI Bus accommodates a mix of knowledge based and conventional components, running on heterogeneous, distributed real world and testbed environment. The concepts and design is described of the AI Bus architecture and its current implementation status as a Unix C++ library or reusable objects. Each high level semiautonomous agent process consists of a number of knowledge sources together with interagent communication mechanisms based on shared blackboards and message passing acquaintances. Standard interfaces and protocols are followed for combining and validating subsystems. Dynamic probes or demons provide an event driven means for providing active objects with shared access to resources, and each other, while not violating their security.

Schultz, Roger D.↗