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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Algorithm-Based Fault Tolerance for Numerical Subroutines

A software library implements a new methodology of detecting faults in numerical subroutines, thus enabling application programs that contain the subroutines to recover transparently from single-event upsets. The software library in question is fault-detecting middleware that is wrapped around the numericalsubroutines. Conventional serial versions (based on LAPACK and FFTW) and a parallel version (based on ScaLAPACK) exist. The source code of the application program that contains the numerical subroutines is not modified, and the middleware is transparent to the user. The methodology used is a type of algorithm- based fault tolerance (ABFT). In ABFT, a checksum is computed before a computation and compared with the checksum of the computational result; an error is declared if the difference between the checksums exceeds some threshold. Novel normalization methods are used in the checksum comparison to ensure correct fault detections independent of algorithm inputs. In tests of this software reported in the peer-reviewed literature, this library was shown to enable detection of 99.9 percent of significant faults while generating no false alarms.

Tumon, Michael↗
NASA NTRS1996

Satellite Angular Rate Estimation From Vector Measurements

This paper presents an algorithm for estimating the angular rate vector of a satellite which is based on the time derivatives of vector measurements expressed in a reference and body coordinate. The computed derivatives are fed into a spacial Kalman filter which yields an estimate of the spacecraft angular velocity. The filter, named Extended Interlaced Kalman Filter (EIKF), is an extension of the Kalman filter which, although being linear, estimates the state of a nonlinear dynamic system. It consists of two or three parallel Kalman filters whose individual estimates are fed to one another and are considered as known inputs by the other parallel filter(s). The nonlinear dynamics stem from the nonlinear differential equation that describes the rotation of a three dimensional body. Initial results, using simulated data, and real Rossi X ray Timing Explorer (RXTE) data indicate that the algorithm is efficient and robust.

Azor, Ruth↗
DOE OSTI2015

Shift: A Massively Parallel Monte Carlo Radiation Transport Package

This paper discusses the massively-parallel Monte Carlo radiation transport package, Shift, developed at Oak Ridge National Laboratory. It reviews the capabilities, implementation, and parallel performance of this code package. Scaling results demonstrate very good strong and weak scaling behavior of the implemented algorithms. Benchmark results from various reactor problems show that Shift results compare well to other contemporary Monte Carlo codes and experimental results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

ASC-ATDM Performance Portability Requirements for 2015-2019

This report outlines the research, development, and support requirements for the Advanced Simulation and Computing (ASC ) Advanced Technology, Development, and Mitigation (ATDM) Performance Portability (a.k.a., Kokkos) project for 2015 - 2019 . The research and development (R&D) goal for Kokkos (v2) has been to create and demonstrate a thread - parallel programming model a nd standard C++ library - based implementation that enables performance portability across diverse manycore architectures such as multicore CPU, Intel Xeon Phi, and NVIDIA Kepler GPU. This R&D goal has been achieved for algorithms that use data parallel pat terns including parallel - for, parallel - reduce, and parallel - scan. Current R&D is focusing on hierarchical parallel patterns such as a directed acyclic graph (DAG) of asynchronous tasks where each task contain s nested data parallel algorithms. This five y ear plan includes R&D required to f ully and performance portably exploit thread parallelism across current and anticipated next generation platforms (NGP). The Kokkos library is being evaluated by many projects exploring algorithm s and code design for NGP. Some production libraries and applications such as Trilinos and LAMMPS have already committed to Kokkos as their foundation for manycore parallelism an d performance portability. These five year requirements includes support required for current and antic ipated ASC projects to be effective and productive in their use of Kokkos on NGP. The greatest risk to the success of Kokkos and ASC projects relying upon Kokkos is a lack of staffing resources to support Kokkos to the degree needed by these ASC projects. This support includes up - to - date tutorials, documentation, multi - platform (hardware and software stack) testing, minor feature enhancements, thread - scalable algorithm consulting, and managing collaborative R&D.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A biomimetic approach to fast selection of optimal controlled variables using multiagent algorithms and a decomposition approach

Selection of primary controlled variables (CVs) with due consideration of economic loss and ease of control is an important step for achieving optimal plant operation under design and off-design conditions. However, the computational expense of the combinatorial optimization step that is undertaken for CV selection renders the existing approaches unaffordable for fast selection of optimal CVs. Two approaches are proposed in this paper for improving the computational efficiency of the optimization step. Typically, the CV selection process is typically executed by considering the entire plant together. Opposed to that, the first approach proposed here seeks to decompose the process plant into multiple partitions based on the connectivity strength. Then the CV selection algorithm can be executed on each partition independently. The decomposition algorithm is biomimetic and has been developed, in analogy to neuroscience, mimicking how the information about the connectivity information is extracted using a dynamic casual model. This approach can significantly decrease the number of combinatorial optimization problems that needs to be solved and facilitates parallelization of the solution. In the second approach, a multiagent optimization framework is proposed that utilizes metaheuristic optimization strategies such as the efficient ant colony algorithm, simulated annealing and the genetic algorithm. These two approaches can be used by themselves or in combination. This framework enables cooperative search by a group of algorithmic agents facilitated through an information sharing protocol. These two approaches are applied to a toy problem and an acid gas removal unit as part of an integrated gasification combined cycle. This study shows how the computational time and economic and control performance of the optimal CV sets vary as the number of partitions are changed.

42 ENGINEERING↗
NASA NTRS2002

Effects of Ordering Strategies and Programming Paradigms on Sparse Matrix Computations

The Conjugate Gradient (CG) algorithm is perhaps the best-known iterative technique to solve sparse linear systems that are symmetric and positive definite. For systems that are ill-conditioned, it is often necessary to use a preconditioning technique. In this paper, we investigate the effects of various ordering and partitioning strategies on the performance of parallel CG and ILU(O) preconditioned CG (PCG) using different programming paradigms and architectures. Results show that for this class of applications: ordering significantly improves overall performance on both distributed and distributed shared-memory systems, that cache reuse may be more important than reducing communication, that it is possible to achieve message-passing performance using shared-memory constructs through careful data ordering and distribution, and that a hybrid MPI+OpenMP paradigm increases programming complexity with little performance gains. A implementation of CG on the Cray MTA does not require special ordering or partitioning to obtain high efficiency and scalability, giving it a distinct advantage for adaptive applications; however, it shows limited scalability for PCG due to a lack of thread level parallelism.

Oliker, Leonid↗
DOE OSTI2024

Impacts of floating-point non-associativity on reproducibility for HPC and deep learning applications

Run to run variability in parallel programs caused by floating-point non-associativity has been known to significantly affect reproducibility in iterative algorithms, due to accumulating errors. Non-reproducibility can critically affect the efficiency and effectiveness of correctness testing for stochastic programs. Recently, the sensitivity of deep learning training and inference pipelines to floating-point non-associativity has been found to sometimes be extreme. It can prevent certification for commercial applications, accurate assessment of robustness and sensitivity, and bug detection. New approaches in scientific computing applications have coupled deep learning models with high-performance computing, leading to an aggravation of debugging and testing challenges. Here we perform an investigation of the statistical properties of floating-point non-associativity within modern parallel programming models, and analyze performance and productivity impacts of replacing atomic operations with deterministic alternatives on GPUs. We examine the recently-added deterministic options in PyTorch within the context of GPU deployment for deep learning, uncovering and quantifying the impacts of input parameters triggering run to run variability and reporting on the reliability and completeness of the documentation. Finally, we evaluate the strategy of exploiting automatic determinism that could be provided by deterministic hardware, using the Groq LPUTM accelerator for inference portions of the deep learning pipeline. We demonstrate the benefits that a hardware-based strategy can provide within reproducibility and correctness efforts.

Shanmugavelu, Sanjif↗
DOE OSTI2018

Machine Learning Based Parallel I/O Predictive Modeling: A Case Study on Lustre File Systems

Parallel I/O hardware and software infrastructure is a key contributor to performance variability for applications running on large-scale HPC systems. This variability confounds efforts to predict application performance for characterization, modeling, optimization, and job scheduling. We propose a modeling approach that improves predictive ability by explicitly treating the variability and by leveraging the sensitivity of application parameters on performance to group applications with similar characteristics. We develop a Gaussian process-based machine learning algorithm to model I/O performance and its variability as a function of application and file system characteristics. We demonstrate the effectiveness of the proposed approach using data collected from the Edison system at the National Energy Research Scientific Computing Center. The results show that the proposed sensitivity-based models are better at prediction when compared with application-partitioned or unpartitioned models. We highlight modeling techniques that are robust to the outliers that can occur in production parallel file systems. Using the developed metrics and modeling approach, we provide insights into the file system metrics that have a significant impact on I/O performance.

I/O performance variability↗
DOE OSTI2020

Modular performance prediction for scientific workflows using Machine Learning

Scientific workflows provide an opportunity for declarative computational experiment design in an intuitive and efficient way. A distributed workflow is typically executed on a variety of resources, and it uses a variety of computational algorithms or tools to achieve the desired outcomes. Such a variety imposes additional complexity in scheduling these workflows on large scale computers. As computation becomes more distributed, insights into expected workload that a workflow presents become critical for effective resource allocation. In this paper, we present a modular framework that leverages Machine Learning for creating precise performance predictions of a workflow. The central idea is to partition a workflow in such a way that makes the task of forecasting each atomic unit manageable and gives us a way to combine the individual predictions efficiently. We recognize a combination of an executable and a specific physical resource as a single module. This gives us a handle to characterize workload and machine power as a single unit of prediction. Overall, our modular technique of creating atomic modules and deployment of longest-path approach to estimate workflow performance, allows the framework to adapt to highly complex nested directed acyclic workflows and scale to new scenarios, since it does not make assumptions of underlying workflow structure. We present performance estimation results of independent workflow modules executed on the XSEDE SDSC Comet cluster using various Machine Learning algorithms. The results provide insights into the behavior and effectiveness of different algorithms in the context of scientific workflow performance prediction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-I-10: Spatially Local Statistics for Adaptive Image Filtering

Purpose: To facilitate adaptive image filtering operations, addressing spatial variations in both noise and signal. Such issues are prevalent in cone-beam projections, where physical effects such as X-ray scattering result in spatially variant noise, violating common assumptions of homogeneous noise and challenging conventional filtering approaches to signal extraction and noise suppression. Methods: We present a computational mechanism for probing into and quantifying the spatial variance of noise throughout an image. The mechanism builds a pyramid of local statistics at multiple spatial scales; local statistical information at each scale includes (weighted) mean, median, standard deviation, median absolute deviation, as well as histogram or dynamic range after local mean/median shifting. Based on inter-scale differences of local statistics, the spatial scope of distinguishable noise variation is detected in a semi- or un-supervised manner. Additionally, we propose and demonstrate the incorporation of such information in globally parametrized (i.e., non-adaptive) filters, effectively transforming the latter into spatially adaptive filters. The multi-scale mechanism is materialized by efficient algorithms and implemented in parallel CPU/GPU architectures. Results: We demonstrate the impact of local statistics for adaptive image processing and analysis using cone-beam projections of a Catphan phantom, fitted within an annulus to increase X-ray scattering. The effective spatial scope of local statistics calculations is shown to vary throughout the image domain, necessitating multi-scale noise and signal structure analysis. Filtering results with and without spatial filter adaptation are compared visually, illustrating improvements in imaging signal extraction and noise suppression, and in preserving information in low-contrast regions. Conclusion: Local image statistics can be incorporated in filtering operations to equip them with spatial adaptivity to spatial signal/noise variations. An efficient multi-scale computational mechanism is developed to curtail processing latency. Spatially adaptive filtering may impact subsequent processing tasks such as reconstruction and numerical gradient computations for deformable registration. NIH Grant No. R01-184173.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Monte Carlo Explicitly Correlated Second-Order Many-Body Green’s Function Calculations of Semiconductor Band Gaps

A systematically converging series of ab initio, post-density-functional, size-consistent, electron-correlated approximations is desired for predictive computing of felectronic band structures of insulating, semiconducting, and metallic solids. A series that meets all of these desiderata (except the applicability to metals) is ab initio many-body Green's function theory based on Gaussian-type-orbital (GTO) basis sets. Here, its leading-order approximation, the second-order Green's function (GF2) method in the diagonal and frequency-independent approximations with the aug-cc-pVDZ basis set, is applied to the fundamental band gaps of three semiconductors (diamond, silicon, and silicon carbide in the zincblende structure) using cluster models. Corrections are made to the basis-set-incompleteness errors by the explicit-correlation (F12) ansatz (GF2-F12) for the valence band edges. The crystals are modeled as surface-passivated clusters of increasing sizes, whose wave functions are expanded by up to 2709 GTO basis functions. Immense computational costs of these calculations are overcome by the highly scalable stochastic algorithm of the Monte Carlo GF2-F12 method, whose operation cost per state increases only as a cubic power of system size, which has a tiny memory footprint and easily achieves near-perfect parallel efficiency on thousands of CPUs or on hundreds of GPUs. The correlated, F12-corrected highest-occupied and lowest-unoccupied molecular-orbital energy (HOMO-LUMO) gap is 5.78 ± 0.07 eV for C 87 H 76 as compared with the experimental value of the fundamental (indirect) band gap of bulk diamond at 5.48 eV. The correlated, F12-corrected HOMO-LUMO gaps for Si 75 H 76 and Si 32 C 43 H 76 are 2.56 ± 0.15 eV and 3.50 ± 0.12 eV, respectively, which are expected to decrease further with increasing cluster sizes. As a result, the experimental fundamental (indirect) band gaps of bulk silicon and silicon carbide are 1.17 eV and 2.42 eV, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Semi-implicit continuum kinetic modeling of weakly collisional parallel transport in a magnetic mirror

We present implicit-explicit (IMEX) kinetic simulations of weakly collisional parallel plasma transport in magnetic mirror configurations using the continuum code COGENT. The numerical scheme employs a Jacobian-free Newton–Krylov method with algebraic multigrid preconditioning to overcome the severe time step limitations imposed by strong mirror forces in fully explicit schemes. Applied to parameters relevant to the Wisconsin HTS Axisymmetric Mirror experiment, the IMEX approach enables time steps up to 2.5×10 4 times larger than those permitted by explicit methods, resulting in a 2500× speedup in 1D–2V simulations of parallel transport with kinetic ions and Boltzmann electrons. Additionally, a reduced bounce-averaged model for a square mirror is implemented to support the computationally intensive fully kinetic simulations. The bounce-averaged formulation is used to evaluate the numerical convergence of the velocity-space discretization algorithms and to assess the role of the collision model by comparing simulations employing the nonlinear Fokker–Planck and the simplified Lenard–Bernstein–Dougherty collision operators.

Collision theories↗
DOE OSTI2021

RAPID

Parallel computer code for the simulator for dynamics of power systems which has the capability to initiate the system and create different faults for the dynamic analysis. The code is based on time-parallel method (Parareal) with Adaptive Method Reduction (AMR). The coarse solvers for the Parareal algorithm include several Semi Analytical Solution methods. Also, Integrated simulation of coupled transmission and distribution systems can be studied.

Simunovic, Srdjan [Oak Ridge National Lab. (ORNL),↗
NASA NTRS1984

On the impact of communication complexity in the design of parallel numerical algorithms

This paper describes two models of the cost of data movement in parallel numerical algorithms. One model is a generalization of an approach due to Hockney, and is suitable for shared memory multiprocessors where each processor has vector capabilities. The other model is applicable to highly parallel nonshared memory MIMD systems. In the second model, algorithm performance is characterized in terms of the communication network design. Techniques used in VLSI complexity theory are also brought in, and algorithm independent upper bounds on system performance are derived for several problems that are important to scientific computation.

Gannon, D.↗
NASA NTRS1986

Automated matching of pairs of SIR-B images for elevation mapping

During the SIR-B mission in October 1984, a significant number of overlapping synthetic aperture radar (SAR) images of various ground areas was collected. This has offered the first opportunity to perform stereo analyses on images from space that cover large ground areas to determine elevation information. This paper presents the preliminary results of an investigation to obtain elevation data from stereo pairs of SIR-B images. First, the accuracy with which elevation information can be derived from SIR-B image pairs is evaluated theoretically. It is shown that elevation accuracy is a function of the slant range resolution, the incidence angles with which the stereo pair is obtained, the accuracies in spacecraft state estimation, and determination of corresponding pixels in the stereo pair. Next, a hierarchical method is developed to match the corresponding pixels. This method involves iterative removal of local distortions and correlations of pairs of local neighborhoods in the two images. Since it is necessary to perform the matching at every pixel in the image, it is very computationally intensive. Therefore, it has been implemented on the Massively Parallel Processor (MPP) at the Goddard Space Flight Center (GSFC). The MPP's speed permits two iterations of this technique to operate on a pair of 512 x 512 images within 7 s. Results of applying this algorithm of SIR-B images of Mount Shasta, CA, are shown. The matching algorithm performs well in regions of the image with significant features. An approximate elevation image derived from the matching process corresponds to published topographic map data, except for certain obvious discontinuities.

Ramapriyan, H. K.↗
NASA NTRS1987

A system for routing arbitrary directed graphs on SIMD architectures

There are many problems which can be described in terms of directed graphs that contain a large number of vertices where simple computations occur using data from connecting vertices. A method is given for parallelizing such problems on an SIMD machine model that is bit-serial and uses only nearest neighbor connections for communication. Each vertex of the graph will be assigned to a processor in the machine. Algorithms are given that will be used to implement movement of data along the arcs of the graph. This architecture and algorithms define a system that is relatively simple to build and can do graph processing. All arcs can be transversed in parallel in time O(T), where T is empirically proportional to the diameter of the interconnection network times the average degree of the graph. Modifying or adding a new arc takes the same time as parallel traversal.

Tomboulian, Sherryl↗
NASA NTRS1987

Galerkin/Runge-Kutta discretizations for parabolic equations with time dependent coefficients

A new class of fully discrete Galerkin/Runge-Kutta methods is constructed and analyzed for linear parabolic initial boundary value problems with time dependent coefficients. Unlike any classical counterpart, this class offers arbitrarily high order convergence while significantly avoiding what has been called order reduction. In support of this claim, error estimates are proved, and computational results are presented. Additionally, since the time stepping equations involve coefficient matrices changing at each time step, a preconditioned iterative technique is used to solve the linear systems only approximately. Nevertheless, the resulting algorithm is shown to preserve the original convergence rate while using only the order of work required by the base scheme applied to a linear parabolic problem with time independent coefficients. Furthermore, it is noted that special Runge-Kutta methods allow computations to be performed in parallel so that the final execution time can be reduced to that of a low order method.

Keeling, Stephen L.↗