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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 181 records · Page 10

CHARM-SYCL: New Unified Programming Environment for Multiple Accelerator Types

Addressing performance portability across diverse accelerator architectures has emerged as a major challenge in the development of application and programming systems for high-performance computing environments. Although recent programming systems that focus on performance portability have significantly improved productivity in an effort to meet this challenge, the problem becomes notably more complex when compute nodes are equipped with multiple accelerator types—each with unique performance attributes, optimal data layout, and binary formats. To navigate the intricacies of multi-accelerator programming, we propose CHARM-SYCL as an extension of our CHARM multi-accelerator execution environment [27]. This environment will combine our SYCL-based performance-portability programming front end with a back end for extremely heterogeneous architectures as implemented with the IRIS runtime from Oak Ridge National Laboratory. Our preliminary evaluation indicates potential productivity boost and reasonable performance compared to vendor-specific programming system and runtimes.

Fujita, Norihisa↗

Swarm Mentality: Toward Automatic Swarm State Awareness with Runtime Verification

Cyber-Physical Systems (CPSs) already exhibit impressive performance in all areas of human life, and swarms of CPSs promise to increase their capabilities even further. However, to effectively utilize CPS swarms their complexity of operation has to scale sub-linearly with the number of swarm members. Presenting the swarm to an operator as a single entity almost eliminates the additional per-member overhead entirely. To operate a swarm as one entity, and/or to increase the swarm’s autonomy, the operator and the swarm members need to reason and communicate at the same level of abstraction, i.e. the swarm needs a sense of “self.” Therefore, we require the ability to specify whole swarm properties yet monitor them at the member level. We examine one architecture for achieving this awareness by: 1) Defining a taxonomy for comparing techniques that synthesize this belief-state 2) Propose use of the Runtime Verification formal method to fill this role 3) Present preliminary designs for extending and embedding such a system in the Distributed Spacecraft Autonomy architecture to generate per-member monitors from swarm level specification.

Runtime Verification↗

A Strawman for an HPC PowerStack

The landscape of High-Performance Computing (HPC) is changing as we enter the exascale era and power and energy management are key design points for any next generation of supercomputers. Efficiently utilizing procured power and optimizing performance of scientific applications under power and energy constraints is challenging due to several reasons including dynamic phase behavior, processor manufacturing variability and increasing heterogeneity of node-level components. Extending the scope from the node- and application-level up to the system-level introduces further challenges on top of power-unaware job scheduling, which is known to be NP-hard on its own. While there exists several individual efforts across the community to research automatic techniques for managing power and energy better, the majority of these techniques have been specialized to meet the needs of a specific HPC center or specific optimization goals and provide little support to connect them to each other. Some projects, most notably the PowerAPI efforts [1], discuss interfaces that form a good starting point for full stack integration, but these interfaces still need to be hooked up to the wide range of software components offered by academic partners, developers or vendors. Furthermore, a recent survey conducted by the EE HPC WG concluded that the majority of such techniques have lacked the application-awareness required to achieve the best system performance and throughput. Other observations were that each technique tended to target management of power and energy for a different subset of the site or system hardware and that the different techniques tended to perform management at different (and often conflicting) granularities. Unfortunately, the existing techniques have not been designed to coexist simultaneously on one site and cooperate on management in an integrated manner [2]. The lack of application-awareness, lack of coordinated management across different granularities, and the lack of widely accepted interfaces and consequent limited connectivity between modules, can result in substantially underutilized Watts and FLOPS. To address these gaps, the HPC community needs a holistic stack for power and energy management and none currently exists. In our view, a holistic stack is one that is extensible enough to support the present and anticipated future needs of various different HPC centers, one that achieves best system performance and throughput through application-awareness, one that is designed to coordinate management at different granularities, and one that enables the seamless integration of software components from different developers and vendors. In this seminar, our goal is bring together experts from academia, research laboratories, and industry in order to take stock of existing approaches, design points and power management concepts and requirements at the various participant’s institutions, and to design concepts for a holistic power and energy management stack, which we refer to as the HPC PowerStack. Further, we hope to take steps toward defining the interfaces necessary for providing a complete prototype shared among many groups. The intention is to align development and research efforts across the community so that we may share development resources, avoid duplicating effort, agree on common interfaces and reap the rewards together as a community. The intended final outcome of this collaboration will be a holistic, flexible and extensible concept of a software stack ecosystem that allows us to combine product-grade open-source software components to enable runtime optimization of system power, energy, and performance.

97 MATHEMATICS AND COMPUTING↗

Trends in data locality abstractions for HPC systems

The cost of data movement has always been an important concern in high performance computing (HPC) systems. It has now become the dominant factor in terms of both energy consumption and performance. Support for expression of data locality has been explored in the past, but those efforts have had only modest success in being adopted in HPC applications for various reasons. However, with the increasing complexity of the memory hierarchy and higher parallelism in emerging HPC systems, locality management has acquired a new urgency. Developers can no longer limit themselves to low-level solutions and ignore the potential for productivity and performance portability obtained by using locality abstractions. Fortunately, the trend emerging in recent literature on the topic alleviates many of the concerns that got in the way of their adoption by application developers. Data locality abstractions are available in the forms of libraries, data structures, languages and runtime systems; a common theme is increasing productivity without sacrificing performance. Furthermore, this paper examines these trends and identifies commonalities that can combine various locality concepts to develop a comprehensive approach to expressing and managing data locality on future large-scale high-performance computing systems.

97 MATHEMATICS AND COMPUTING↗

Use of Generalized Davidson Eigenvalue Solver for Coarse Mesh Finite Difference Acceleration

This paper summarizes improvements in the coarse mesh finite difference (CMFD) performance by focusing on the eigenvalue solution methodology. The current solution technique uses a shifted power iteration with the PETSc solver package. A generalized Davidson methodology has been implemented into MPACT using the Trilinos solver package. The new generalized Davidson solver shows significant improvements in the overall runtime for the CMFD acceleration scheme and the overall MPACT performance. The performance improves between 5 and 27 times for the CMFD runtime. This results in a speedup of between 2.5 to 5 times on the overall solution time for MPACT.

Collins, Benjamin↗

Runtime Scheduling Policies for Distributed Graph Algorithms

In this paper we explore scheduling and runtime system support for unordered distributed graph computations that rely on optimistic (speculative) execution. Performance of such algorithms is impacted by two competing trends: the higher degree of parallelism enabled by optimistic execution in turn requires substantial runtime support. To address the potentially high overhead and scheduling complexity introduced by the runtime, we investigate customizable scheduling policies that augment the scheduler of the underlying runtime to adapt it to a specific graph application. We present several implementations of Distributed Control (DC), a data-driven unordered approach with work prioritization and demonstrate that customizable scheduling policies result in the most efficient implementation, outperforming the well-known -stepping Single-Source Shortest Paths (SSSP) and Jones-Plassmann vertex-coloring algorithms. We apply two scheduling techniques, flow control and adaptive frequency of network progress, which allow application-level control over the balance of domain work and the runtime work. Experimental results show the benefit of such application-aware scheduling for irregular distributed graph algorithms.

Firoz, Jesun S.↗

Integrating Asynchronous Task Parallelism with OpenSHMEM, In: OpenSHMEM 2016: OpenSHMEM and Related Technologies. Enhancing OpenSHMEM for Hybrid Environments

Partitioned Global Address Space (PGAS) programming models combine shared and distributed memory features, and provide a foundation for high-productivity parallel programming using lightweight one-sided communications. The OpenSHMEM programming interface has recently begun gaining popularity as a lightweight library-based approach for developing PGAS applications, in part through its use of a symmetric heap to realize more efficient implementations of global pointers than in other PGAS systems. However, current approaches to hybrid inter-node and intra-node parallel programming in OpenSHMEM rely on the use of multithreaded programming models (e.g., pthreads, OpenMP) that harness intra-node parallelism but are opaque to the OpenSHMEM runtime. This OpenSHMEM+X approach can encounter performance challenges such as bottlenecks on shared resources, long pause times due to load imbalances, and poor data locality. Furthermore, OpenSHMEM+X requires the expertise of hero-level programmers, compared to the use of just OpenSHMEM. All of these are hard challenges to mitigate with incremental changes. This situation will worsen as computing nodes increase their use of accelerators and heterogeneous memories.

Computer Science↗

Application of Fuel Depletion Chain Simplification to Experiment Analysis in the Advanced Test Reactor

An irradiation experiment analysis can be informed by high-fidelity reactor engineering depletion results, but this comes at a computational cost. Applying depletion chain simplification to the advanced test reactor driver fuel before performing experiment depletions permits their programmatic parameters to be calculated faster, with a small penalty to accuracy. Here, this work contrasts the results of two irradiation experiments with different neutronic characteristics. Overall, the simplified nuclide library produced using a simple one-group microscopic cross-section library for a pressurized water reactor in the depletion chain simplification process performed comparably in terms of accuracy and runtime to the simplified nuclide library produced using a three-group microscopic cross-section library generated specifically for the advanced test reactor experiments being modeled. This is attributed to the additional nuclides and transmutation pathways preserved in the one-group cross-section library, which has data for 297 nuclides, compared to the three-group cross-section library, which has data for 217 nuclides. This indicates that a cross-section library with more nuclides is better than a cross-section library with fewer nuclides for the depletion chain simplification process, even if the cross-section library with fewer nuclides better represents the flux spectrum of the system being considered.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Particle hit clustering and identification using point set transformers in liquid argon time projection chambers

Liquid argon time projection chambers are often used in neutrino physics and dark-matter searches because of their high spatial resolution. The images generated by these detectors are extremely sparse, as the energy values detected by most of the detector are equal to 0, meaning that despite their high resolution, most of the detector is unused in a particular interaction. Instead of representing all of the empty detections, the interaction is usually stored as a sparse matrix, a list of detection locations paired with their energy values. Traditional machine learning methods that have been applied to particle reconstruction such as convolutional neural networks (CNNs), however, cannot operate over data stored in this way and therefore must have the matrix fully instantiated as a dense matrix. Operating on dense matrices requires a lot of memory and computation time, in contrast to directly operating on the sparse matrix. We propose a machine learning model using a point set neural network that operates over a sparse matrix, greatly improving both processing speed and accuracy over methods that instantiate the dense matrix, as well as over other methods that operate over sparse matrices. Compared to competing state-of-the-art methods, our method improves classification performance by 14%, segmentation performance by more than 22%, while taking 80% less time and using 66% less memory. Compared to state-of-the-art CNN methods, our method improves classification performance by more than 86%, segmentation performance by more than 71%, while reducing runtime by 91% and reducing memory usage by 61%.

calibration and fitting methods↗

Flash-X Recipe Tools

SF-24-102 A code generation tool for Flash-X to support their performance portability using a domain-specific runtime library.

Lee, Youngjun↗

Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift

This technical report documents several enhancements to the Shift Monte Carlo (MC) code under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2022. Performance enhancements were added to Shift specifically for tristructural isotropic (TRISO)–fueled reactor systems and guided based on performance analysis in FY 2021. For the pebble performance model developed in previous studies, the runtime improved by ~ 91× compared to the original model and ~ 2× compared to the user-optimized model. Compared to Serpent, Shift is ~ 3× slower if Serpent delta-tracking is enabled but ~ 2× faster when delta-tracking is disabled. The multigroup cross section generation was improved through simplifying tally input definitions, porting several post-processing tally operations from Python scripts into the Shift code base, and accounting for production reactions in the scattering multiplicity. Progress was also made on two emerging capabilities: (1) the development of Titan (a Shift reactor physics user interface) and (2) initial investigation into path-length tallies for computing multigroup scattering matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Intelligent systems in space : the EO-1 Autonomous Sciencecraft

The Autonomous Sciencecraft Software (ASE) is currently flying onboard the Earth Observing One (EO-1) Spacecraft. This software enables the spacecraft to autonomously detect and respond to science events occurring on the Earth. The package includes software systems that perform science data analysis, deliberative planning, and runtime robust execution. Because of the deployment to the EO-1 spacecraft, the ASE software has stringent constraints of autonomy and limited computing resources. We describe these constraints and how they are reflected in our operations approach. A summary of the final results of the experiment is also included. This software has demonstrated the potential for space missions to use onboard decision-making to detect, analyze, and respond to science events, and to downlink only the highest value science data. As a result, ground-based mission planning and analysis functions have been greatly simplified, thus reducing operations cost.

Earth Observing One (EO-1) Spacecraft↗

Towards Native Execution of Deep Learning on a Leadership-Class HPC System

Large parallel machines generally offer the best parallel performance with "native execution" that is achieved using codes developed with the optimized compilers, communication libraries, and runtimes offered on the machines. In this paper, we report and analyze performance results from native execution of deep learning on a leadership-class high-performance computing (HPC) system. Using our new code called DeepEx, we present a study of the parallel speed up and convergence rates of learning achieved with native parallel execution. In the trade-off between computational parallelism and synchronized convergence, we first focus on maximizing parallelism while still obtaining convergence. Scaling results are reported from execution on up to 15,000 GPUs using two scientific data sets from atom microscopy and protein folding applications, and also using the popular ImageNet data set. In terms of the traditional measure of parallel speed up, excellent scaling is observed up to 12,000 GPUs. Additionally, accounting for convergence rates of deep learning accuracy or error, a deep learning-specific metric called "learning speed up" is also tracked. The performance results indicate the need to evaluate parallel deep learning execution in terms of learning speed up, and point to additional directions for improved exploitation of high-end HPC systems.

Yoginath, Srikanth↗

GASNet-EX Specification Collection (Rev. 2024.5.0)

GASNet-EX is a portable, open-source, high-performance communication library designed to efficiently support the networking requirements of PGAS runtime systems and other alternative models in emerging exascale systems. It provides network-independent, high-performance communication primitives including Remote Memory Access (RMA) and Active Messages (AM). GASNet-EX is an evolution of the popular GASNet communication system, building upon over 20 years of lessons learned, and the primary goals are high performance, interface portability, and expressiveness. The library has been used to implement parallel programming models and libraries such as UPC, UPC++, Fortran coarrays, Legion, Chapel, and many others. This anthology collects together the four separate volumes that currently comprise the GASNet-EX specification, as of the 2024.5.0 release of GASNet-EX.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

GASNet-EX Performance Improvements Due to Specialization for the Cray Aries Network

GASNet-EX is a portable, open-source, high-performance communication library designed to efficiently support the networking requirements of PGAS runtime systems and other alternative models on future exascale machines. This paper reports on the improvements in performance observed on Cray XC-series systems due to enhancements made to the GASNet-EX software. These enhancements, known as "specializations", primarily consist of replacing network-independent implementations of several recently added features with implementations tailored to the Cray Aries network. Performance gains from specialization include (1) Negotiated-Payload Active Messages improve bandwidth of a ping-pong test by up to 14%, (2) Immediate Operations reduce running time of a synthetic benchmark by up to 93%, (3) non-bulk RMA Put bandwidth is increased by up to 32%, (4) Remote Atomic performance is 70% faster than the reference on a point-to-point test and allows a hot-spot test to scale robustly, and (5) non-contiguous RMA interfaces see up to 8.6x speedups for an intra-node benchmark and 26% for inter-node. These improvements are all available in GASNet-EX version 2018.3.0 and later.

97 MATHEMATICS AND COMPUTING↗

Mastering HPC Runtime Prediction: From Observing Patterns to a Methodological Approach

The continual expansion of high-performance computing (HPC) brings with it an increasing need for efficiency. Heavy investment in energy, hardware, and software infrastructure to support peta- and exascale computing requires the optimization of existing systems and, wherever possible, the discernment and adoption of best-practices towards these goals. Such is the case for runtime prediction. When a job is submitted to an HPC system, an estimate of its runtime is provided by the user in the form of "requested wallclock". Error in this user-provided estimate can lead to jobs being prematurely killed by the scheduler, increased wait time on the queue, and decreased system utilization. More than fifteen years of research has been directed at mitigating these effects by using data-driven runtime predictions. Codified here is a set of commonalities and insights emerging from this body of work, which we present as recommendations and best practices. These practices are combined into a methodological approach described and evaluated on an 11-million-job dataset from the National Renewable Energy Laboratory's petascale HPC system, Eagle. This dataset and the accompanying codebase have been released to the public domain for the benefit of the wider HPC research community.

high performance computing↗

SchedInspector: A Batch Job Scheduling Inspector Using Reinforcement Learning

Improving the performance of job executions is an important goal of HPC batch job schedulers, such as minimizing job waiting time, slowdown, or completion time. Such a goal is often accomplished using carefully designed heuristics based on job features, such as job size and job duration. However, these heuristics overlook important runtime factors (e.g., cluster availability and waiting job patterns), which may vary across time and make a previously sound scheduling decision not hold any longer. In this study, we propose a new approach to incorporate runtime factors into batch job scheduling for better job execution performance. The key idea is to add a scheduling inspector on top of the base job scheduler to scrutinize its scheduling decisions. The inspector will take the runtime factors into consideration and accordingly determine the fitness of the scheduled job. It then either accepts the scheduled job or rejects it and asks the base schedulers to try again later. We realize such an inspector, namely SchedInspector, by leveraging the intelligence of reinforcement learning. Through extensive experiments, we show SchedInspector can intelligently integrate the runtime factors into various batch job scheduling policies, including the state-of-the-art one, to gain better job execution performance, such as smaller average bounded job slowdown (up to 69% better) or average job waiting time (up to 52% better), across various real-world workloads. We also show that although rejecting scheduling decisions may leave the resources idle hence affect the system utilization, SchedInspector is able to achieve the job execution performance improvement with marginal impact on the system utilization (typically less than 1%). We consider one key advantage of SchedInspector is it automatically learns to work with and improve existing job scheduling policies without changing them, which makes it promising to serve as a generic enhancer for various batch job scheduling policies.

Zhang, Di↗

Bootstrap embedding for interacting electrons in phonon coherent-state mean field

Here, we develop a Fermi–Bose bootstrap embedding framework for the ground state of interacting electrons coupled to a phonon mean field. The method combines bootstrap embedding for correlated electrons with a self-consistent coherent-state mean-field treatment for phonons. This method models the interacting electron–phonon problem as a system of correlated electrons traveling in a self-consistently specified potential landscape, allowing for efficient treatment of large lattice systems. Convergence of the methods for fragment size and total system size is demonstrated for the one-dimensional Hubbard–Holstein model for up to 350 sites. Finite-size scaling is performed to extrapolate to the infinite system size. Benchmarking against the density matrix renormalization group for a small 8-site system at half- and quarter-filling shows an orders-of-magnitude runtime advantage. The comparison further reveals that the method performs best in regimes dominated by localization, such as the Mott insulating phase and the strong-coupling tiny polaron regime, where the local embedding ansatz is still valid. However, due to the mean-field treatment for phonons, we find limitations of our methods in the weakly coupled delocalized region and at the Peierls transition, where quantum phonon fluctuations and long-range kinetic correlations become substantial.

Islam, Shariful [North Carolina State University, ↗