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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Alignment and position visualization methods for the biomedical imaging and therapy (BMIT) MRT lift

The Microbeam Radiation Therapy (MRT) Lift is an eight stage positioning and scanning system at the Canadian Light Source’s BMIT Facility. Alignment of the sample with the beam using the MRT Lift is a time consuming and challenging task. The BMIT Group has developed a Python-based MRT Lift positioning and control program that uses a combination of computational and iterative methods to independently adjust the sample’s X, Y, Z, pitch and roll positions. The program offers “1-Click” alignment of the sample to the beam. Use of a wireframe visualization technique enables even minute movements to be illustrated. Proposed movements and the resulting MRT Lift position can be manually verified before being applied. Optional integration with the SolidWorks modelling platform allows high quality renderings of the MRT Lift in its current or proposed position to be displayed in real time. Human factors principles are incorporated into the program with the objective of delivering easy to use controls for this complex device.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

FPGA Computing

The articles in this special section focus on cutting-edge research on topics that relate to field programmable gate arrays (FPGA) in computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Automatic Code Generation for High-Performance Graph Algorithms

Graph problems are common across fields of scientific computing and social sciences. However, despite their importance, implementing graph algorithms effectively on modern computing systems is a challenging task that requires significant programming effort and generally results in customized implementations. Current computing and memory hierarchies are not architected for irregular computations resulting in challenges for graph algorithms to achieve high performance on those architectures. In this paper, we present GraphX, a novel compiler framework and DSL designed to simplify the development of efficient graph algorithms and achieve high performance on modern computing systems. GraphX consists of a DSL for efficient implementation of graph algorithms, various optimizations, such as support for sparse linear algebra and workspace transformations, optimized graph primitives, including semiring and masking, and a high-performance code generation engine. Using GraphX, users can implement graph algorithms using a semantically-rich language with graph-oriented operators. GraphX uses these semantics to automatically generate efficient code for target architectures, increasing performance and portability across architectures. The composable nature of GraphX makes it possible to extend the set of optimizations and architectures without modifying the source code. We demonstrate GraphX outperforms state-of-the-art graph libraries, such as LAGraph, up to $3.7 speedup in semiring operations, $2.19 speedup in an important sparse computational kernel, and $9.05 speedup in graph processing algorithms.

compiler, graph algorithms, semiring, masking, wor↗
DOE OSTI2025

Extending SEER for Extreme Heterogeneity

Heterogeneous and multi-device nodes are increasingly common in high-performance computing and data centers, yet existing programming models often lack simple, transparent, and portable support for these diverse architectures. The main contribution of this work is the development of novel SEER capabilities to address this challenge by providing a descriptive programming model that allows applications to seamlessly leverage heterogeneous nodes across various device types. SEER uses efficient memory management and can select the proper device[s] depending on the computational cost of the applications. This is completely transparent to the programmer, thereby providing a highly productive programming environment. Integrating extreme heterogeneity into the SEER library as shown with the use of NVIDIA and AMD GPUs simultaneously allows it to expand and exploit the performance possibilities. Our analysis based on the well-known Conjugate Gradient algorithm reports accelerations above 1.5 × on computationally demanding steps of such an algorithm by using both architectures simultaneously.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗
DOE OSTI2025

OLCF’s Advanced Computing Ecosystem (ACE): FY25 Update for Ongoing Efforts

The advent of widespread use of artificial intelligence (AI) and machine learning (ML) models in science, coupled with fast data production rates of scientific instruments strain the traditional batch-oriented high-performance computing (HPC) environment. As scientific exploration continues to require more data and faster processing and analysis, new emerging technologies and capabilities to enable cross-facility and time-sensitive workflows are required for seamless integration of HPC and experimental facilities. The Advanced Computing Ecosystem (ACE) is a strategic initiative within the Oak Ridge Leadership Computing Facility (OLCF) established in 2024 to support the development of cutting-edge technologies to advance computational research and infrastructure at OLCF and across the Department of Energy (DOE). Several DOE initiatives are spearheading the evolution of the scientific landscape by blurring facility boundaries and connecting the user facilities to advance scientific capabilities and ensure energy dominance. The DOE Integrated Research Infrastructure (IRI) program is one example that is laying a foundation to support complex cross-facility workflows. The IRI program aims to integrate diverse computational resources, data infrastructures, and scientific instruments to facilitate collaboration and accelerate scientific discovery. The Interconnected Science Ecosystem (INTERSECT) initiative at Oak Ridge National Laboratory (ORNL) is another example that aims to revolutionize scientific research through AI-driven, interconnected autonomous laboratories and research facilities. Finally, the American Science Cloud (AmSC), recently announced in the “One Big Beautiful Bill”, aims to leverage prior infrastructure efforts of the IRI and automation and AI efforts of INTERSECT (and others) to build a federated, AI-augmented AmSC platform to unify the DOE’s computing, experimental, and data resources to catalyze scientific innovation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

BCL: A Cross-Platform Distributed Data Structures Library

One-sided communication is a useful paradigm for irregular parallel applications, but most one-sided programming environments, including MPI's one-sided interface and PGAS programming languages, lack application-level libraries to support these applications. We present the Berkeley Container Library, a set of generic, cross-platform, high-performance data structures for irregular applications, including queues, hash tables, Bloom filters and more. BCL is written in C++ using an internal DSL called the BCL Core that provides one-sided communication primitives such as remote get and remote put operations. The BCL Core has backends for MPI, OpenSHMEM, GASNet-EX, and UPC++, allowing BCL data structures to be used natively in programs written using any of these programming environments. Along with our internal DSL, we present the BCL ObjectContainer abstraction, which allows BCL data structures to transparently serialize complex data types while maintaining efficiency for primitive types. We also introduce the set of BCL data structures and evaluate their performance across a number of high-performance computing systems, demonstrating that BCL programs are competitive with hand-optimized code, even while hiding many of the underlying details of message aggregation, serialization, and synchronization.

Brock, Benjamin↗
DOE OSTI2014

Multiscale Computation: Needs and Opportunities for BER Science

The Environmental Molecular Sciences Laboratory (EMSL), a scientific user facility managed by Pacific Northwest National Laboratory for the U.S. Department of Energy, Office of Biological and Environmental Research (BER), conducted a one-day workshop on August 26, 2014 on the topic of “Multiscale Computation: Needs and Opportunities for BER Science.” Twenty invited participants, from various computational disciplines within the BER program research areas, were charged with the following objectives: Identify BER-relevant models and their potential cross-scale linkages that could be exploited to better connect molecular-scale research to BER research at larger scales, and Identify critical science directions that will motivate EMSL decisions regarding future computational (hardware and software) architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Vulnerability Research Development Program Guide v.1

SAND2021-15515 O The Vulnerability Research Development Program (VRDP) Guide is a training program developed to help general purpose computer science staff become independently capable vulnerability researchers. VRDP Guide is both a course description and curriculum for the program. 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.

Salim, Nasser↗
DOE OSTI2017

Fuel Cycle Technologies 2016 Achievements Report

The U.S. Department of Energy (DOE), Office of Nuclear Energy (DOE- NE) established the Fuel Cycle Technologies (FCT) program to address challenges such as growing stockpiles of used nuclear fuel (UNF) and high-level waste (HLW), and an urgency to enhance accident tolerance of the existing reactor fleet. Resolution of these challenges involves developing systems that reduce waste while improving resource utilization and safety. Towards this goal, the FCT program implemented a research and development (R&D) science-based approach, integratesing theory and experiment with high performance computing modeling and simulation. The FCT program establishes and strengthens collaborations with experts at international agencies, universities, and industry to develop the nuclear fuel cycle of the future. DOE-NE national laboratories and their international counterparts provide extensive expertise and experience and access to critical R&D facilities. Universities provide a wellspring of innovative ideas while industry provides the venue to integrate the expertise, experience, and ideas into commercial practice.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Experimental Validation of Approximate Dynamic Programming Based Optimization and Convergence on Microgrid Applications

Stochastic optimization can better address uncertainties in power system problems. However, when state space and action space become large, many existing approaches become computationally expensive and even infeasible. Approximate dynamic programming (ADP) attracts researchers’ attention as a powerful tool for solving power system optimization problems with reduced computational cost. In this paper, in light of the existing literature, we investigate how the ADP approach with post-decision value function approximation converges to the nearly optimal solution with improved computational speed and experimentally validate the performance of the approach for a microgrid energy optimization problem. The approximation error versus the number of iteration is studied for convergence analysis of the post-decision ADP. A flowchart is provided to illustrate the proposed ADP algorithm for a microgrid energy optimization problem. The performance of ADP and dynamic programming (DP) is compared in terms of optimization error and computational time. It has found that the post-decision ADP approach can achieve competitive optimality with improved computational speed compared to the traditional DP.

Das, Avijit↗
DOE OSTI2020

Rapid Memory Footprint Access Diagnostics

Footprint and reuse distance measure temporal locality and therefore do not capture the significance of access patterns (spacial locality). A strided access pattern has the largest possible footprint but usually has the best performance. To highlight exposed memory latency, we separate footprint into strided (prefetchable) and irregular (non-prefetchable) access components and calculate the growth rate of each. To rapidly compute these footprint access diagnostics, we present two methods, whole-program and precise. Current footprint analyses can cause 200× or more slowdown with realistic inputs and are therefore impractical. Our whole-program method reduces the overhead to 10% by computing upper bounds, but still yields inter-procedural insight through a call path profile. Our precise method uses additional static analysis and profiling to refine the upper bounds for intra-procedural loop nests. We evaluate our approaches using benchmarks that vary access patterns (strided \vs unpredictable), sparsity (all words in a cache line \vs some), and reuse (varying and repeated accesses per element). Notably, for loop nests with unpredictable accesses, the precise method's accuracy is within 10% of ideal. The whole-program method has sufficient accuracy to diagnose bottlenecks.

data locality, memory footprint, footprint access ↗
DOE OSTI2024

Simulative Prediction of Solar Illuminance and Application of the Du-Sharples Model in Estimating Adapted Daylighting Metrics for an Urban Environment

The practice of daylighting in indoor spaces can significantly reduce electricity consumption and carbon emissions, improve human productivity, and enhance mood and cognitive perception. This work discussed the recent developments in daylighting science and practice, computed the periodic variations in average diurnal daylight levels for each month, quantified in terms of global horizontal illuminance and diffuse horizontal illuminance, for Kolkata, India, a city with tropical wet and dry climate, with two empirical luminous efficacy models of estimating solar illuminance, and assessed daylighting metrics with the Du-Sharples model. A program was formulated that could compute and generate daylight data with monthly-hourly solar irradiation data and the Du-Sharples model was utilized to predict dirt-corrected daylighting metrics for three glazing transmittance values and five elemental carbon deposition levels on glazing material. The highest monthly average global horizontal illuminance is recorded in April (64.05 klx for Littlefair model and 66.82 klx for Muneer-Kinghorn model) and the highest monthly average diffuse horizontal illuminance is recorded in July (33.23 klx for Littlefair model and 30.63 klx for Muneer-Kinghorn model). Further, the computed yearly average global and diffuse horizontal illuminance levels agree well with a previous study that applied the Perez model. Yearly average horizontal work surface illuminance level remained >1.5 klx for window-towall area ratio >30 %. The approach adopted in this work and the temporal variation charts of computed exterior daylight level data may assist building service engineers, architects, and indoor lighting practitioners in making informed policy decisions at different stages of building planning.

Engineering↗
DOE OSTI2020

ECP ST Project 2.3.1.06-STPM08-RAJA (Final Report)

Modern high-performance computing architectures are diverse, with hardware designs that feature multicore CPUs and CPUs plus accelerators, such as GPUs or FPGAs. Achieving good application performance often requires using a programming model and managing application data in ways that are best suited to a particular platform. For large codes that are used daily in production, and are under continual development, architecture-specific ports are untenable. Maintainability requires single-source code that is performance portable across a range of architectures and programming model back-ends. This report describes RAJA, Umpire, and CHAI, three software libraries that provide complementary capabilities to enable application portability for high performance computing (HPC) platforms. In particular, these libraries provide software abstractions that insulate application source code from hardware architecture and programming model-specific implementation details. These development of these libraries was motivated by the needs of multiphysics applications in the Weapons Simulation and Computing Program (WSC) at Lawrence Livermore National Laboratory (LLNL). Funding though the Exascale Computing Project (ECP) Software Technology (ST) project 2.3.1.06 RAJA has fostered outreach and collaboration with the ECP application and software technology development communities. In this report, we describe ECP adoption and integration of these tools to this point. The larger goal of the report is to describe to the ECP community what these projects offer, how they are used, and how to approach adoption and integration of them.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Compiler and Runtime Approaches to Enable Large-Scale Irregular Programs. Final report, July 2013 - July 2019

While regular algorithms, characterized by operations on dense matrices and arrays, have long been the mainstay of scientific, high-performance computing, irregular algorithms, which feature unpredictable accesses to pointer-based data structures, are becoming increasingly common in high performance computing, arising in graph analysis, data mining and visualization, among other domains. Unfortunately, the defining characteristics of irregular applications, their dynamic, unpredictable, data-dependent access patterns and data layouts, make achieving high performance on large scale systems difficult. Scaling applications to peta- and exa-scale requires carefully controlling communication and data movement and placement, an inherently difficult task when access patterns and data layouts are unpredictable! Most irregular applications that attain high performance must be painstakingly hand-written and hand-tuned, with few common principles or paradigms uniting various implementations and easing future development. Despite the increasing importance of irregular applications, there is little programmer knowledge, and even less compiler ability, devoted to optimizing them. This project aims to solve these problems. By allowing programmers to write irregular applications in high level forms, with at most a few annotations highlighting key structural properties, programmers can focus on developing their algorithms and methods. The compiler and run-time system can take on the tedious task of optimizing the application for execution at large scales, and can automatically provide efficient implementations. This will provide portability and ease maintenance for existing irregular applications, but, more importantly, open up whole new domains of computational science to large-scale, high-performance simulation codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Ion Coulomb Crystals in Storage Rings for Quantum Information Science

Quantum information science is a growing field that promises to take computing into a new age of higher performance and larger scale computing as well as being capable of solving problems classical computers are incapable of solving. The outstanding issue in practical quantum computing today is scaling up the system while maintaining interconnectivity of the qubits and low error rates in qubit operations to be able to implement error correction and fault-tolerant operations. Trapped ion qubits offer long coherence times that allow error correction. However, error correction algorithms require large numbers of qubits to work properly. We can potentially create many thousands (or more) of qubits with long coherence states in a storage ring. For example, a circular radio-frequency quadrupole, which acts as a large circular ion trap and could enable larger scale quantum computing. Such a Storage Ring Quantum Computer (SRQC) would be a scalable and fault tolerant quantum information system, composed of qubits with very long coherence lifetimes. With computing demands potentially outpacing the supply of high-performance systems, quantum computing could bring innovation and scientific advances to particle physics and other DOE supported programs. Increased support of R$\&$D in large scale ion trap quantum computers would allow the timely exploration of this exciting new scalable quantum computer. The R$\&$D program could start immediately at existing facilities and would include the design and construction of a prototype SRQC. We invite feedback from and collaboration with the particle physics and quantum information science communities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Microstructure Characterization and Modeling for Improved Electrode Design

As part of DOE's Computer-Aided Engineering of Batteries Program, the National Renewable Energy Laboratory is developing detailed models capturing the influence of lithium-ion battery electrode design, recipe and processing on the electrode's microstructure and relating that microstructure to device-level performance. Given the difficulty in obtaining 3D microstructural images of the electrode's inert components, team member Purdue University developed an algorithm to computationally generate the so-called carbon-binder domain (CBD) for any given recipe. Mesoscale models explore the device-level impact of the CBD phase on multiple idealized and actual electrode geometries. With the inclusion of this CBD phase, microstructure models are used to predict the tortuosity of 14 different graphite and NMC electrode designs. Tortuosity predictions are shown in good agreement with experimental direct measurement and electrochemical rate studies.

25 ENERGY STORAGE↗
DOE OSTI2016

Integration Of PanDA Workload Management System With Supercomputers for ATLAS and Data Intensive Science

The.LHC, operating at CERN, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 150 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250,000 cores with a peak performance of 0.3 petaFLOPS, LHC data taking runs require more resources than grid can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility. Current approach utilizes modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single threaded workloads in parallel on LCFs multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms for ALICE and ATLAS experiments and it is in full pro duction for the ATLAS since September 2015. We will present our current accomplishments with running PanDA at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Integrating External Resources with a Task-Based Programming Model

Accessing external resources (e.g., loading input data, checkpointing snapshots, and out-of-core processing) can have a significant impact on the performance of supercomputer applications. However, no existing programming systems for high-performance computing directly manage and optimize these external accesses. As a result, users must explicitly manage external accesses alongside their computation at the application level, which can result in both correctness and performance issues. We address this limitation by introducing Iris, a task-based programming model with semantics for external resources. Iris allows applications to describe their access requirements to external resources and the relationship of those accesses to the computation. Iris incorporates external I/O into a deferred execution model, reschedules external I/O to overlap I/O with computation, and reduces external I/O when possible. We evaluate Iris on three microbenchmarks representative of important workloads in HPC and a full combustion simulation, S3D. We demonstrate that the Iris implementation of S3D reduces the external I/O overhead by up to 20×, compared to the Legion and the Fortran implementations.

97 MATHEMATICS AND COMPUTING↗