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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 145 records · Page 8

Comparing High Performance Computing Accelerator Programming Models

Accelerator devices are becoming a norm in High Performance Computing (HPC). With more systems opting for heterogeneous architectures, portable programming models like OpenMP and OpenACC are becoming increasingly important. The SPEC ACCEL 1.2 benchmark suite consists of comparable benchmarks in OpenCL, OpenMP 4.5, and OpenACC 2.5 that can be used to evaluate the performance and support for programming models and frameworks on heterogeneous platforms. In this paper we go beneath the normative metric of performance times and look at the individual kernels to study the usage, strengths, and weaknesses of the two prevalent portable heterogeneous programming models, OpenMP and OpenACC. From our analysis we identify that benchmarks like MRI-Q, SP and BT have better performance using OpenACC, while benchmarks like MiniGhost, LBM and LBDC do consistently better with the OpenMP programming model across supercomputers like Titan, and Summit.We deep dive into the kernels of select four benchmarks to answer questions like: Where does the benchmark spend most of its cycles? What is the parallelization strategy used? Why is one programming model more performant than the other? By identifying the similarities and dierences we want to contrast between the benchmark implementation strategies in the SPEC ACCEL 1.2 benchmarks and provide more insights into the OpenMP and OpenACC programming models.

Pophale, Swaroop S.↗

An Integrated High-performance Computing and Digital Real-time Simulation Testbed to Benchmark Closed-loop Load Shedding Algorithms in Power Systems

An integrated testbed using digital real-time simulator (DRTS) and a high-performance computing (HPC) cluster is presented here to compare speed and performance of computational schemes to mitigate time-critical issues in electric power systems. The first approach in this testbed validation is taken by running a set of closed-loop load shedding algorithms to compare and contrast two paradigms of arresting cascading failure propagation. Two algorithms involve solving DC and AC power flow model-based optimization problems to compute load shedding at different buses, while a model-based stochastic search using parallel computing provides a viable alternative. The algorithms are implemented in the DRTS-HPC testbed for the IEEE 14-bus benchmark transmission system. As a proof of the concept, simulation results are presented for implementation of closed-loop load-shedding algorithms for cascading failures in the DRTS-HPC testbed

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Visual Analytics Framework for the Detection of Anomalous Call Stack Trees in High Performance Computing Applications

Anomalous runtime behavior detection is one of the most important tasks for performance diagnosis in High Performance Computing (HPC). Most of the existing methods find anomalous executions based on the properties of individual functions, such as execution time. However, it is insufficient to identify abnormal behavior without taking into account the context of the executions, such as the invocations of children functions and the communications with other HPC nodes. We improve upon the existing anomaly detection approaches by utilizing the call stack structures of the executions, which record rich temporal and contextual information. With our call stack tree (CSTree) representation of the executions, we formulate the anomaly detection problem as finding anomalous tree structures in a call stack forest. The CSTrees are converted to vector representations using our proposed stack2vec embedding. Structural and temporal visualizations of CSTrees are provided to support users in the identification and verification of the anomalies during an active anomaly detection process. Furthermore, three case studies of real-world HPC applications demonstrate the capabilities of our approach.

97 MATHEMATICS AND COMPUTING↗

Advancing Energy Analysis through High Performance Computing at NREL

Robert Leland, Associate Laboratory Director of Scientific Computing and Energy Analysis at the National Renewable Energy Laboratory (NREL), has formed a new directorate designed to increase synergy between our High Performance Computing and Energy Analysis capabilities and thereby enable more comprehensive and detailed analyses than previously possible. This presentation will describe our approach and experience to date, review the underlying capabilities, and give a few examples of current applications.

97 MATHEMATICS AND COMPUTING↗

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, which is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Here, preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.

97 MATHEMATICS AND COMPUTING↗

Large language model evaluation for high–performance computing software development

We apply AI-assisted large language model (LLM) capabilities of GPT-3 targeting high-performance computing (HPC) kernels for (i) code generation, and (ii) auto-parallelization of serial code in C ++, Fortran, Python and Julia. Our scope includes the following fundamental numerical kernels: AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG, and language/programming models: (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). Kernel implementations are generated using GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code given simple + + prompt variants. To quantify and compare the generated results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. For auto-parallelization, we use ChatGPT interactively giving simple prompts as in a dialogue with another human including simple “prompt engineering” follow ups. Results suggest that correct outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding language keywords, while Julia prompts perform acceptably well for its Threads and CUDA.jl programming models. Finally, we expect to provide an initial quantifiable point of reference for code generation in each programming model using a state-of-the-art LLM. Overall, understanding the convergence of LLMs, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

97 MATHEMATICS AND COMPUTING↗

Survey-wide asteroid discovery with a high-performance computing enabled non-linear digital tracking framework

Modern astronomical surveys detect asteroids by linking together their appearances across multiple images taken over time. This approach faces limitations in detecting faint asteroids and handling the computational complexity of trajectory linking. Here, we present a novel method that adapts “digital tracking” – traditionally used for short-term linear asteroid motion across images – to work with large-scale synoptic surveys such as the Vera Rubin Observatory Legacy Survey of Space and Time (Rubin/LSST). Our approach combines hundreds of sparse observations of individual asteroids across their non-linear orbital paths to enhance detection sensitivity by several magnitudes. To address the computational challenges of processing massive data sets and dense orbital phase spaces, we developed a specialized high-performance computing architecture. We demonstrate the effectiveness of our method through experiments that take advantage of the extensive computational resources at Lawrence Livermore National Laboratory. This work enables the detection of significantly fainter asteroids in existing and future survey data, potentially increasing the observable asteroid population by orders of magnitude across different orbital families, from near-Earth objects (NEOs) to Kuiper belt objects (KBOs).

Asteroid discovery↗

Investigating User Experiences with Data Abstractions on High Performance Computing Systems

Scientific exploration generates expanding volumes of data that commonly require High Performance Computing (HPC) systems to facilitate research. HPC systems are complex ecosystems of hardware and software that frequently are not user friendly. The Usable Data Abstractions (UDA) project set out to build usable software for scientific workflows in HPC environments by undertaking multiple rounds of qualitative user research. Qualitative research investigates how individuals accomplish their work and our interview-based study surfaced a variety of insights about the experiences of working in and with HPC ecosystems. This report examines multiple facets to the experiences of scientists and developers using and supporting HPC systems. We discuss how stakeholders grasp the design and configuration of these systems, the impacts of abstraction layers on their ability to successfully do work, and the varied perceptions of time that shape this work. Examining the adoption of the Cori HPC at NERSC we explore the anticipations and lived experiences of users interacting with this system’s novel storage feature, the Burst Buffer. We present lessons learned from across these insights to illustrate just some of the challenges HPC facilities and their stakeholders need to account for when procuring and supporting these essential scientific resources to ensure their usability and utility to a variety of scientific practices.

97 MATHEMATICS AND COMPUTING↗

Fundamentals of Modeling, Data Assimilation, and High-performance Computing

This lecture will introduce the concepts of modeling, data assimilation and high- performance computing as it relates to the study of atmospheric composition. The lecture will work from basic definitions and will strive to provide a framework for thinking about development and application of models and data assimilation systems. It will not provide technical or algorithmic information, leaving that to textbooks, technical reports, and ultimately scientific journals. References to a number of textbooks and papers will be provided as a gateway to the literature.

Rood, Richard B.↗

A Machine Learning-Genetic Algorithm (ML-GA) Approach for Rapid Optimization Using High-Performance Computing

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC). The outputs (targets) of interest from these simulations included five metrics related to engine performance and emissions. Over 2000 samples generated from CFD were then used to train an ML model that could predict these five targets based on the nine input features. A robust super learner approach was employed to build the ML model, where results from a collection of different ML algorithms were pooled together. Thereafter, a stochastic global optimization genetic algorithm (GA) was used, with the ML model as the objective function, to optimize the input parameters based on a merit function so as to minimize fuel consumption while satisfying CO and NOx emissions constraints. The optimized configuration from ML-GA was found to be very close to that obtained from a sequentially performed CFD-GA approach, where a CFD simulation served as the objective function. In addition, the overall turnaround time was (at least) 75% lower with the ML-GA approach, as the training data was generated from concurrent CFD simulations and employing the ML model as the objective function significantly accelerated the GA optimization. Finally, this study demonstrates the potential of ML-GA and high-performance computing (HPC) to reduce the number of CFD simulations to be performed for optimization problems without loss in accuracy, thereby providing significant cost savings compared to traditional approaches.

97 MATHEMATICS AND COMPUTING↗

VASCOMP 2. The V/STOL aircraft sizing and performance computer program. Volume 6: User's manual, revision 3

This report describes the use of the V/STOL Aircraft Sizing and Performance Computer Program (VASCOMP II). The program is useful in performing aircraft parametric studies in a quick and cost efficient manner. Problem formulation and data development were performed by the Boeing Vertol Company and reflects the present preliminary design technology. The computer program, written in FORTRAN IV, has a broad range of input parameters, to enable investigation of a wide variety of aircraft. User oriented features of the program include minimized input requirements, diagnostic capabilities, and various options for program flexibility.

Schoen, A. H.↗

Developing High-Performance Computing Model of Vapor Transition Through Advanced Membranes for Applications in 7AC Liquid Desiccant Air Conditioners

This poster for the 2019 Advanced Manufacturing Office Peer Review covers the high-performance computing model development for applications in Liquid Desiccant Air Conditioners. Conventional compressor-based cooling has undergone incremental changes over the past 100 years. Further improvements in efficiency require evermore complex systems, especially under humid conditions. Microporous membranes offer unique opportunities for efficient humidity control in buildings using an absorbent desiccant solution, but membranes are not designed for this purpose. This project used molecular dynamic (MD) simulations to determine the effect of membrane properties on important metrics for these air-conditioning applications, focusing on the membrane properties at the membrane/liquid/air interface. Improved membranes can enable smaller, more durable, and less costly designs for these membrane air conditioning systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗