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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 649 records · Page 36

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DOE OSTI2018

Scalable Data Management of the Uintah Simulation Framework for Next-Generation Engineering Problems with Radiation

The need to scale next-generation industrial engineering problems to the largest computational platforms presents unique challenges. This paper focuses on data management related problems faced by the Uintah simulation framework at a production scale of 260K processes. Uintah provides a highly scalable asynchronous many-task runtime system, which in this work is used for the modeling of a 1000 megawatt electric (MWe) ultra-supercritical (USC) coal boiler. At 260K processes, we faced both parallel I/O and visualization related challenges, e.g., the default file-per-process I/O approach of Uintah did not scale on Mira. In this paper we present a simple to implement, restructuring based parallel I/O technique. We impose a restructuring step that alters the distribution of data among processes. The goal is to distribute the dataset such that each process holds a larger chunk of data, which is then written to a file independently. This approach finds a middle ground between two of the most common parallel I/O schemes–file per process I/O and shared file I/O–in terms of both the total number of generated files, and the extent of communication involved during the data aggregation phase. To address scalability issues when visualizing the simulation data, we developed a lightweight renderer using OSPRay, which allows scientists to visualize the data interactively at high quality and make production movies. Finally, this work presents a highly efficient and scalable radiation model based on the sweeping method, which significantly outperforms previous approaches in Uintah, like discrete ordinates. The integrated approach allowed the USC boiler problem to run on 260K CPU cores on Mira.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Evaluating Portable Parallelization Strategies for Heterogeneous Architectures in High Energy Physics

High-energy physics (HEP) experiments have developed millions of lines of code over decades that are optimized to run on traditional x86 CPU systems. However, we are seeing a rapidly increasing fraction of floating point computing power in leadership-class computing facilities and traditional data centers coming from new accelerator architectures, such as GPUs. HEP experiments are now faced with the untenable prospect of rewriting millions of lines of x86 CPU code, for the increasingly dominant architectures found in these computational accelerators. This task is made more challenging by the architecture-specific languages and APIs promoted by manufacturers such as NVIDIA, Intel and AMD. Producing multiple, architecture-specific implementations is not a viable scenario, given the available person power and code maintenance issues. The Portable Parallelization Strategies team of the HEP Center for Computational Excellence is investigating the use of Kokkos, SYCL, OpenMP, std::execution::parallel and alpaka as potential portability solutions that promise to execute on multiple architectures from the same source code, using representative use cases from major HEP experiments, including the DUNE experiment of the Long Baseline Neutrino Facility, and the ATLAS and CMS experiments of the Large Hadron Collider. This cross-cutting evaluation of portability solutions using real applications will help inform and guide the HEP community when choosing their software and hardware suites for the next generation of experimental frameworks. We present the outcomes of our studies, including performance metrics, porting challenges, API evaluations, and build system integration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1988

Algorithms and software for solving finite element equations on serial and parallel architectures

The primary objective was to compare the performance of state-of-the-art techniques for solving sparse systems with those that are currently available in the Computational Structural Mechanics (MSC) testbed. One of the first tasks was to become familiar with the structure of the testbed, and to install some or all of the SPARSPAK package in the testbed. A brief overview of the CSM Testbed software and its usage is presented. An overview of the sparse matrix research for the Testbed currently employed in the CSM Testbed is given. An interface which was designed and implemented as a research tool for installing and appraising new matrix processors in the CSM Testbed is described. The results of numerical experiments performed in solving a set of testbed demonstration problems using the processor SPK and other experimental processors are contained.

Chu, Eleanor↗

DOE OSTI2016

Programming Models in HPC

These are the slides for a presentation on programming models in HPC, at the Los Alamos National Laboratory's Parallel Computing Summer School. The following topics are covered: Flynn's Taxonomy of computer architectures; single instruction single data; single instruction multiple data; multiple instruction multiple data; address space organization; definition of Trinity (Intel Xeon-Phi is a MIMD architecture); single program multiple data; multiple program multiple data; ExMatEx workflow overview; definition of a programming model, programming languages, runtime systems; programming model and environments; MPI (Message Passing Interface); OpenMP; Kokkos (Performance Portable Thread-Parallel Programming Model); Kokkos abstractions, patterns, policies, and spaces; RAJA, a systematic approach to node-level portability and tuning; overview of the Legion Programming Model; mapping tasks and data to hardware resources; interoperability: supporting task-level models; Legion S3D execution and performance details; workflow, integration of external resources into the programming model.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1988

Correlation filters for orientation estimation

An important task in many vision applications is that of rapidly estimating the orientation of an object with respect to some frame of reference. Because of their speed and parallel processing capabilities, optical correlators should prove valuable in this application. This paper considers two algorithms for object orientation estimation based on optical correlations and presents some initial simulation results.

Kumar, B. V. K. Vijaya↗

NASA NTRS2002

NAS Grid Benchmarks

We provide a paper-and-pencil specification of a benchmark suite for computational grids. It is based on the NAS (NASA Advanced Supercomputing) Parallel Benchmarks (NPB) and is called the NAS Grid Benchmarks (NGB). NGB problems are presented as data flow graphs encapsulating an instance of a slightly modified NPB task in each graph node, which communicates with other nodes by sending/receiving initialization data. Like NPB, NGB specifies several different classes (problem sizes). In this report we describe classes S, W, and A, and provide verification values for each. The implementor has the freedom to choose any language, grid environment, security model, fault tolerance/error correction mechanism, etc., as long as the resulting implementation passes the verification test and reports the turnaround time of the benchmark.

VanderWijngaart, Rob↗

DOE OSTI2024

Efficient distributed continual learning for steering experiments in real-time

Deep learning has emerged as a powerful method for extracting valuable information from large volumes of data. However, when new training data arrives continuously (i.e., is not fully available from the beginning), incremental training suffers from catastrophic forgetting (i.e., new patterns are reinforced at the expense of previously acquired knowledge). Training from scratch each time new training data becomes available would result in extremely long training times and massive data accumulation. Rehearsal-based continual learning has shown promise for addressing the catastrophic forgetting challenge, but research to date has not addressed performance and scalability. To fill this gap, we propose an approach based on a distributed rehearsal buffer that efficiently complements data-parallel training on multiple GPUs to achieve high accuracy, short runtime, and scalability. It leverages a set of buffers (local to each GPU) and uses several asynchronous techniques for updating these local buffers in an embarrassingly parallel fashion, all while handling the communication overheads necessary to augment input minibatches using unbiased, global sampling. We further propose a generalization of rehearsal buffers to support both classification and generative learning tasks, as well as more advanced rehearsal strategies (notably Dark Experience Replay, leveraging knowledge distillation). We illustrate this approach with a real-life HPC streaming application from the domain of ptychographic image reconstruction. Furthermore, we run extensive experiments on up to 128 GPUs of the ThetaGPU supercomputer to compare our approach with baselines representative of training-from-scratch (the upper bound in terms of accuracy) and incremental training (the lower bound). Results show that rehearsal-based continual learning achieves a top-5 validation accuracy close to the upper bound, while simultaneously exhibiting a runtime close to the lower bound.

Asynchronous data management↗

DOE OSTI2017

XPRESS: eXascale PRogramming Environment and System Software

The XPRESS project is the research and development of a complete software architecture for Exascale computing. The four major R&D thrusts include: 1) an Exascale lightweight kernel operating system (LXK), based on the Kitten operating system (OS), to manage billion way hardware parallelism, management of faults and power, management of global virtual name space, and other features of future system architectures; 2) a runtime system (HPX-5), co-designed with LXK, based on the ParalleX execution model that supports dynamic resource management and task scheduling; 3) system interfaces for interoperability between the runtime system and both the OS and the runtime system (RIOS); 4) compilation strategies and systems to translate MPI and OpenMP legacy codes to a form that can be run with performance at least as good as a native code implementation. The software architecture development has been driven by performance evaluation of mini-applications developed at Department of Energy Co-Design Centers as well as ancillary in-house developed applications and benchmarks. Research on the ParalleX execution model has been driven by the development of formal semantics and model checkers for the execution model. The major components of the software architecture are: ParalleX execution model – guiding principles for co-design of components of the system stack with advances in locality management and task prioritization through introspection; HPX runtime system – support of application dynamic adaptive resource management, task scheduling, and introspective control policies; LXK operating system – lightweight kernel operating system for order-constant scalability and low/no noise to manage resources; RIOS – a realm of Exascale system operation unique in the XPRESS project that includes the relationship between the new generation of lightweight kernel operating systems and runtime system software; XPI advanced programming model – intermediate form and low-level (readable) programming interface reflecting the ParalleX model, providing a target for source-to- source high level parallel language translation, and supporting early direct programming experimentation and measurement; Performance models & metrics – providing parameters and their mutual sensitivities to guide co-design and quantify operational behavior; Legacy migration – ensuring seamless transition of legacy codes and programming methods to the future generation of ParalleX-based Exascale systems; . Experiments and evaluation – critical to determining degree of effectiveness and likelihood of ultimate success as well as guiding corrective design changes to achieve DOE objectives; and Applications – collaborations with Co-Design Centers and other mission critical codes. The exemplar implementation of the ParalleX execution model, HPX-5, has been released along with five fully ported applications (LULESH, HPCG, SSSP, WAMR, and DASHMM) and multiple microbenchmarks. Using these applications, the system architecture demonstrated dynamic load balancing through active migration, legacy code migration, and data-driven approaches to for graph-like applications. Crucially for Exascale and billion way parallelism, the needs and patterns of irregular applications in HPX-5 were addressed using local flow control rather than relying on globally synchronized data structures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

FLEET: Flexible Efficient Ensemble Training for Heterogeneous Deep Neural Networks

Parallel training of an ensemble of Deep Neural Networks (DNN) on a cluster of nodes is an effective approach to shorten the process of neural network architecture search and hyper-parameter tuning for a given learning task. Prior efforts have shown that data sharing, where the common preprocessing operation is shared across the DNN training pipelines, saves computational resources and improves pipeline efficiency. Data sharing strategy, however, performs poorly for a heterogeneous set of DNNs where each DNN has varying computational needs and thus different training rate and convergence speed. This paper proposes FLEET, a flexible ensemble DNN training framework for efficiently training a heterogeneous set of DNNs. We build FLEET via several technical innovations. We theoretically prove that an optimal resource allocation is NP-hard and propose a greedy algorithm to efficiently allocate resources for training each DNN with data sharing. We integrate data-parallel DNN training into ensemble training to mitigate the differences in training rates and introduce checkpointing into this context to address the issue of different convergence speeds. Experiments show that FLEET significantly improves the training efficiency of DNN ensembles without compromising the quality of the result.

Guan, Hui↗

DOE OSTI2017

Stochastic optimization of GeantV code by use of genetic algorithms

GeantV is a complex system based on the interaction of different modules needed for detector simulation, which include transport of particles in fields, physics models simulating their interactions with matter and a geometrical modeler library for describing the detector and locating the particles and computing the path length to the current volume boundary. The GeantV project is recasting the classical simulation approach to get maximum benefit from SIMD/MIMD computational architectures and highly massive parallel systems. This involves finding the appropriate balance between several aspects influencing computational performance (floating-point performance, usage of off-chip memory bandwidth, specification of cache hierarchy, etc.) and handling a large number of program parameters that have to be optimized to achieve the best simulation throughput. This optimization task can be treated as a black-box optimization problem, which requires searching the optimum set of parameters using only point-wise function evaluations. Here, the goal of this study is to provide a mechanism for optimizing complex systems (high energy physics particle transport simulations) with the help of genetic algorithms and evolution strategies as tuning procedures for massive parallel simulations. One of the described approaches is based on introducing a specific multivariate analysis operator that could be used in case of resource expensive or time consuming evaluations of fitness functions, in order to speed-up the convergence of the black-box optimization problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Performance of Julia for High Energy Physics Analyses

We argue that the Julia programming language is a compelling alternative to currently more common implementations in Python and C++ for common data analysis workflows in high energy physics. We compare the speed of implementations of different workflows in Julia with those in Python and C++. Furthermore, our studies show that the Julia implementations are competitive for tasks that are dominated by computational load rather than data access. For work that is dominated by data access, we demonstrate an application with concurrent file reading and parallel data processing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Performance Prediction Toolkit

The Performance Prediction Toolkit (PPT), is a scalable co-design tool that contains the hardware and middle-ware models, which accept proxy applications as input in runtime prediction. PPT relies on Simian, a parallel discrete event simulation engine in Python or Lua, that uses the process concept, where each computing unit (host, node, core) is a Simian entity. Processes perform their task through message exchanges to remain active, sleep, wake-up, begin and end.

Chennupati, Gopinath↗

DOE OSTI2022

Towards a more general understanding of the algorithmic utility of recurrent connections

Lateral and recurrent connections are ubiquitous in biological neural circuits. Yet while the strong computational abilities of feedforward networks have been extensively studied, our understanding of the role and advantages of recurrent computations that might explain their prevalence remains an important open challenge. Foundational studies by Minsky and Roelfsema argued that computations that require propagation of global information for local computation to take place would particularly benefit from the sequential, parallel nature of processing in recurrent networks. Such “tag propagation” algorithms perform repeated, local propagation of information and were originally introduced in the context of detecting connectedness, a task that is challenging for feedforward networks. Here, we advance the understanding of the utility of lateral and recurrent computation by first performing a large-scale empirical study of neural architectures for the computation of connectedness to explore feedforward solutions more fully and establish robustly the importance of recurrent architectures. In addition, we highlight a tradeoff between computation time and performance and construct hybrid feedforward/recurrent models that perform well even in the presence of varying computational time limitations. We then generalize tag propagation architectures to propagating multiple interacting tags and demonstrate that these are efficient computational substrates for more general computations of connectedness by introducing and solving an abstracted biologically inspired decision-making task. Our work thus clarifies and expands the set of computational tasks that can be solved efficiently by recurrent computation, yielding hypotheses for structure in population activity that may be present in such tasks.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1991

Trinary Associative Memory Would Recognize Machine Parts

Trinary associative memory combines merits and overcomes major deficiencies of unipolar and bipolar logics by combining them in three-valued logic that reverts to unipolar or bipolar binary selectively, as needed to perform specific tasks. Advantage of associative memory: one obtains access to all parts of it simultaneously on basis of content, rather than address, of data. Consequently, used to exploit fully parallelism and speed of optical computing.

Liu, Hua-Kuang↗

NASA NTRS1994

Stroop-Like Effects for Monkeys and Humans: Processing Speed or Strength of Association?

Stroop-like effects have been found using a variety of paradigms and subject groups. In the present investigation, 6 rhesus monkeys (Macaca mulatta) and 28 humans exhibited Stroop-like interference and facilitation in a relative-numerousness task. Monkeys, like humans, processed the meanings of the numerical symbols automatically, despite the fact that these meanings were irrelevant to task performance. These data also afforded direct comparison of interpretations of the Stroop effect in terms of processing speed versus association strength. These findings were consistent with parallel-processing models of Stroop-like interference proposed elsewhere, but not with processing-speed accounts posited frequently to explain the effect.

Washburn, David A.↗

DOE OSTI2019

Parallel Distributed Hydrology Soil Vegetation Model (DHSVM) using global arrays

The Distributed Hydrology Soil Vegetation Model (DHSVM) code was parallelized for distributed memory computers using Global Arrays (GA). To analyze parallel performance, DHSVM was used to simulate two significantly sized river basins located in northwest continental United States and southwest Canada at 90~m resolution: (1) Clearwater (25,000~km2) and (2) Columbia (668,000~km2). Meteorological forcing applied to both basins was dynamically down-scaled from a global circulation model using the Weather Research and Forecasting (WRF) model and read into DHSVM as 2D maps each time step. We report parallel code speed up was significant. Run times for 1-year simulations were reduced by an order of magnitude for both test basins. A maximum speed up of 105 was attained with 480 processors while simulating the Columbia basin. Speed up was limited by input dominated tasks, particularly the input of meteorological forcing data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Scalable Bayesian optimization with randomized prior networks

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment. Bayesian Optimization (BO) techniques are known to be effective in tackling global optimization problems using a relatively small number objective function evaluations, but their performance suffers when dealing with high-dimensional outputs. To overcome the major challenge of dimensionality, here we propose a deep learning framework for BO and sequential decision making based on bootstrapped ensembles of neural architectures with randomized priors. Using appropriate architecture choices, we show that the proposed framework can approximate functional relationships between design variables and quantities of interest, even in cases where the latter take values in high-dimensional vector spaces or even infinite-dimensional function spaces. In the context of BO, we augmented the proposed probabilistic surrogates with re-parameterized Monte Carlo approximations of multiple-point (parallel) acquisition functions, as well as methodological extensions for accommodating black-box constraints and multi-fidelity information sources. We test the proposed framework against state-of-the-art methods for BO and demonstrate superior performance across several challenging tasks with high-dimensional outputs, including a constrained multi-fidelity optimization task involving shape optimization of rotor blades in turbo-machinery.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Parallel general purpose multiobjective optimization framework with application to electron beam dynamics

Particle accelerators are invaluable tools for research in the basic and applied sciences, such as materials science, chemistry, the biosciences, particle physics, nuclear physics and medicine. The design, commissioning, and operation of accelerator facilities is a nontrivial task, due to the large number of control parameters and the complex interplay of several conflicting design goals. The Argonne Wakefield Accelerator facility has some unique challenges resulting from its purpose to carry out advanced accelerator R&D. Individual experiments often have challenging beam requirements, and the physical configuration of the beam lines is often changed to accommodate the variety of supported experiments. The need for rapid deployment of different operational settings further complicates the optimization work that must be done for multiple constraints and challenging operational regimes. One example of this is an independently staged two-beam acceleration experiment which requires the construction of an additional beam line (this is now in progress). The high charge drive beam, well into the space charge regime, must be threaded through small aperture (17.6 mm) decelerating structures. In addition, the bunch length must be sufficiently short to maximize power generation in the decelerator. We propose to tackle this problem by means of multiobjective optimization algorithms which also facilitate a parallel deployment. In order to compute solutions in a meaningful time frame, a fast and scalable software framework is required. In this paper, we present a general-purpose framework for simulation-based multiobjective optimization methods that allows the automatic investigation of optimal sets of machine parameters. Using evolutionary algorithms as the optimizer and opal as the forward solver, validation experiments and results of multiobjective optimization problems in the domain of beam dynamics are presented. Optimized solutions for the new high charge drive beam line found by the framework were used to finish the design of a two beam acceleration experiment. The selected solution along with the associated beam parameters is presented.

43 PARTICLE ACCELERATORS↗