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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Charon Message-Passing Toolkit for Scientific Computations

The Charon toolkit for piecemeal development of high-efficiency parallel programs for scientific computing is described. The portable toolkit, callable from C and Fortran, provides flexible domain decompositions and high-level distributed constructs for easy translation of serial legacy code or design to distributed environments. Gradual tuning can subsequently be applied to obtain high performance, possibly by using explicit message passing. Charon also features general structured communications that support stencil-based computations with complex recurrences. Through the separation of partitioning and distribution, the toolkit can also be used for blocking of uni-processor code, and for debugging of parallel algorithms on serial machines. An elaborate review of recent parallelization aids is presented to highlight the need for a toolkit like Charon. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability. Some performance results of parallelizing the NAS Parallel Benchmark SP program using Charon are given, showing good scalability.

VanderWijngarrt, Rob F.↗
NASA NTRS1990

Parallel/distributed direct method for solving linear systems

A new family of parallel schemes for directly solving linear systems is presented and analyzed. It is shown that these schemes exhibit a near optimal performance and enjoy several important features: (1) For large enough linear systems, the design of the appropriate paralleled algorithm is insensitive to the number of processors as its performance grows monotonically with them; (2) It is especially good for large matrices, with dimensions large relative to the number of processors in the system; (3) It can be used in both distributed parallel computing environments and tightly coupled parallel computing systems; and (4) This set of algorithms can be mapped onto any parallel architecture without any major programming difficulties or algorithmical changes.

Lin, Avi↗
NASA NTRS1984

Modelling algorithm execution time on processor arrays

A model for the execution time of parallel algorithms on processor arrays is described. The model is validated for the conjugate gradient algorithm on the eight processor Finite Element Machine at NASA Langley Research Center. Model predictions are also included for this algorithm on a larger array as the number of processors and system parameters are varied.

Adams, L. M.↗
DOE OSTI2014

TESS

Computing a Voronoi or Delaunay tessellation from a set of points is a core part of the analysis of many simulated and measured datasets. As the scale of simulations and observations surpasses billions of particles, a distributed-memory scalable parallel algorithm is the only feasible approach. The primary contribution of this software is a distributed-memory parallel Delaunay and Voronoi tessellation algorithm based on existing serial computational geometry libraries that automatically determines which neighbor points need to be exchanged among the subdomains of a spatial decomposition. Other contributions include the addition of periodic and wall boundary conditions.

Dmitriy Morozov, TomPeterka↗
DOE OSTI2014

TESS

Computing a Voronoi or Delaunay tessellation from a set of points is a core part of the analysis of many simulated and measured datasets. As the scale of simulations and observations surpasses billions of particles, a distributed-memory scalable parallel algorithm is the only feasible approach. The primary contribution of this software is a distributed-memory parallel Delaunay and Voronoi tessellation algorithm based on existing serial computational geometry libraries that automatically determines which neighbor points need to be exchanged among the subdomains of a spatial decomposition. Other contributions include the addition of periodic and wall boundary conditions.

Dmitriy Morozov, Tom Peterka↗
NASA NTRS1989

Group implicit concurrent algorithms in nonlinear structural dynamics

During the 70's and 80's, considerable effort was devoted to developing efficient and reliable time stepping procedures for transient structural analysis. Mathematically, the equations governing this type of problems are generally stiff, i.e., they exhibit a wide spectrum in the linear range. The algorithms best suited to this type of applications are those which accurately integrate the low frequency content of the response without necessitating the resolution of the high frequency modes. This means that the algorithms must be unconditionally stable, which in turn rules out explicit integration. The most exciting possibility in the algorithms development area in recent years has been the advent of parallel computers with multiprocessing capabilities. So, this work is mainly concerned with the development of parallel algorithms in the area of structural dynamics. A primary objective is to devise unconditionally stable and accurate time stepping procedures which lend themselves to an efficient implementation in concurrent machines. Some features of the new computer architecture are summarized. A brief survey of current efforts in the area is presented. A new class of concurrent procedures, or Group Implicit algorithms is introduced and analyzed. The numerical simulation shows that GI algorithms hold considerable promise for application in coarse grain as well as medium grain parallel computers.

Ortiz, M.↗
NASA NTRS1995

Parallel Monte Carlo Simulation for control system design

The research during the 1993/94 academic year addressed the design of parallel algorithms for stochastic robustness synthesis (SRS). SRS uses Monte Carlo simulation to compute probabilities of system instability and other design-metric violations. The probabilities form a cost function which is used by a genetic algorithm (GA). The GA searches for the stochastic optimal controller. The existing sequential algorithm was analyzed and modified to execute in a distributed environment. For this, parallel approaches to Monte Carlo simulation and genetic algorithms were investigated. Initial empirical results are available for the KSR1.

Schubert, Wolfgang M.↗
DOE OSTI2014

A domain decomposition method of stochastic PDEs: An iterative solution techniques using a two-level scalable preconditioner

Recent advances in high performance computing systems and sensing technologies motivate computational simulations with extremely high resolution models with capabilities to quantify uncertainties for credible numerical predictions. A two-level domain decomposition method is reported in this investigation to devise a linear solver for the large-scale system in the Galerkin spectral stochastic finite element method (SSFEM). In particular, a two-level scalable preconditioner is introduced in order to iteratively solve the large-scale linear system in the intrusive SSFEM using an iterative substructuring based domain decomposition solver. The implementation of the algorithm involves solving a local problem on each subdomain that constructs the local part of the preconditioner and a coarse problem that propagates information globally among the subdomains. The numerical and parallel scalabilities of the two-level preconditioner are contrasted with the previously developed one-level preconditioner for two-dimensional flow through porous media and elasticity problems with spatially varying non-Gaussian material properties. A distributed implementation of the parallel algorithm is carried out using MPI and PETSc parallel libraries. The scalabilities of the algorithm are investigated in a Linux cluster.

42 ENGINEERING↗
DOE OSTI2011

Implementing a Gaussian Process Learning Algorithm in Mixed Parallel Environment

In this paper, we present a scalability analysis of a parallel Gaussian process training algorithm to simultaneously analyze a massive number of time series. We study three different parallel implementations: using threads, MPI, and a hybrid implementation using threads and MPI. We compare the scalability for the multi-threaded implementation on three different hardware platforms: a Mac desktop with two quad-core Intel Xeon processors (16 virtual cores), a Linux cluster node with four quad-core 2.3 GHz AMD Opteron processors, and SGI Altix ICE 8200 cluster node with two quad-core Intel Xeon processors (16 virtual cores). We also study the scalability of the MPI based and the hybrid MPI and thread based implementations on the SGI cluster with 128 nodes (2048 cores). Experimental results show that the hybrid implementation scales better than the multi-threaded and MPI based implementations. The hybrid implementation, using 1536 cores, can analyze a remote sensing data set with over 4 million time series in nearly 5 seconds while the serial algorithm takes nearly 12 hours to process the same data set.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Parallel k-means++ for Multiple Shared-Memory Architectures

In recent years k-means++ has become a popular initialization technique for improved k-means clustering. To date, most of the work done to improve its performance has involved parallelizing algorithms that are only approximations of k-means++. In this paper we present a parallelization of the exact k-means++ algorithm, with a proof of its correctness. We develop implementations for three distinct shared-memory architectures: multicore CPU, high performance GPU, and the massively multithreaded Cray XMT platform. We demonstrate the scalability of the algorithm on each platform. In addition we present a visual approach for showing which platform performed k-means++ the fastest for varying data sizes.

data clustering↗
DOE OSTI2011

Efficient scalable algorithms for hierarchically semiseparable matrices

Hierarchically semiseparable (HSS) matrix algorithms are emerging techniques in constructing the superfast direct solvers for both dense and sparse linear systems. Here, we develope a set of novel parallel algorithms for the key HSS operations that are used for solving large linear systems. These include the parallel rank-revealing QR factorization, the HSS constructions with hierarchical compression, the ULV HSS factorization, and the HSS solutions. The HSS tree based parallelism is fully exploited at the coarse level. The BLACS and ScaLAPACK libraries are used to facilitate the parallel dense kernel operations at the ne-grained level. We have appplied our new parallel HSS-embedded multifrontal solver to the anisotropic Helmholtz equations for seismic imaging, and were able to solve a linear system with 6.4 billion unknowns using 4096 processors, in about 20 minutes. The classical multifrontal solver simply failed due to high demand of memory. To our knowledge, this is the first successful demonstration of employing the HSS algorithms in solving the truly large-scale real-world problems. Our parallel strategies can be easily adapted to the parallelization of the other rank structured methods.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2015

Parallelized event chain algorithm for dense hard sphere and polymer systems

We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensure detailed balance on the level of Monte Carlo sweeps by drawing the starting sphere of event chains within each simulation cell with replacement. We analyze the performance gains for the parallelized event chain and find a criterion for an optimal degree of parallelization. Because of the cluster nature of event chain moves massive parallelization will not be optimal. Finally, we discuss first applications of the event chain algorithm to dense polymer systems, i.e., bundle-forming solutions of attractive semiflexible polymers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

All-Atom Simulation of 3D Hot Spot Formation in Shocked TATB Explosive

TATB is an insensitive high explosive (IHE) critical to the stockpile that is challenging to model at the continuum scale. Advanced detonation models in the Cheetah high explosive chemistry code require validation though subscale simulations. High explosive initiation is determined by micron-scale physics of hot spots formed a shock-collapsed pores. Pore sizes between 100 nm and 1 μm are believed to be the most important for determining the shock sensitivity of TATB. This range of pore sizes is difficult to access at the atomic scale through allatom molecular dynamics (MD) simulations, even with Sierra-class computers. Quasi-2D simulations are widely used and allow much larger pore sizes (up to 400 nm) to be studied, but the applicability of 2D simulations to the actual 3D pore response is not understood. Resolving these uncertainties through “full physics” MD modeling is key for generalizing, parameterizing, and validating the kinds of continuum models used to inform design, safety, and performance. This work was a continuation of FY20 efforts pushing simulations to full 3D with the largest-ever all-atom simulations of an explosive. These were the first all-atom full-3D simulations of large hot spots thought to govern explosive detonation and required over a billion atoms. Simulations were performed using LAMMPS, an open SNL science code. MD explosive models present unique challenges, even for established codes such as LAMMPS. Their model forms are more complex than typical models for metals, while simulating high temperature-pressure conditions is demanding and increases computational cost. Scaling problems in GPU-enabled MD algorithms initially limited simulations to <100 million atoms but were resolved through collaboration with SNL. An overall 24x speedup was obtained relative to CPU machines. Specialized analysis of these simulations required a bottom-up refactoring and algorithm parallelization of in-house codes and application of computer vision algorithms to extract meaningful information.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Parallel Randomized Tucker Decomposition Algorithms

The Tucker tensor decomposition is a natural extension of the singular value decomposition (SVD) to multiway data. Here, we propose to accelerate Tucker tensor decomposition algorithms by using randomization and parallelization. We present two algorithms that scale to large data and many processors, significantly reduce both computation and communication cost compared to previous deterministic and randomized approaches, and obtain nearly the same approximation errors. The key idea in our algorithms is to perform randomized sketches with Kronecker-structured random matrices, which reduces computation compared to unstructured matrices and can be implemented using a fundamental tensor computational kernel. We provide probabilistic error analysis of our algorithms and implement a new parallel algorithm for the structured randomized sketch. Our experimental results demonstrate that our combination of randomization and parallelization achieves accurate Tucker decompositions much faster than alternative approaches. We observe up to a 16X speedup over the fastest deterministic parallel implementation on 3D simulation data.

Tucker decompositions↗
DOE OSTI2019

A parallel-in-time algorithm for variable step multistep methods

This paper presents a multigrid reduction in time (MGRIT) algorithm for achieving time parallelism using multistep backward difference formula (BDF) methods on variably-spaced temporal grids. This MGRIT approach transforms the linear multistep methods into single step methods applied to groups of time steps. Stability considerations are addressed through lowering of the order on coarse grids. The methods are presented for fixed and variable time step formulations. Furthermore, numerical results show moderate speedups for the heat equation as well as two IEEE power grid test problems characterized by nonlinear differential algebraic equations (DAE) of index 1. The performance of MGRIT with BDF is compared to MGRIT with Runge-Kutta for both the fixed and variable step methods of the same order.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

Parallel computation with the force

A methodology, called the force, supports the construction of programs to be executed in parallel by a force of processes. The number of processes in the force is unspecified, but potentially very large. The force idea is embodied in a set of macros which produce multiproceossor FORTRAN code and has been studied on two shared memory multiprocessors of fairly different character. The method has simplified the writing of highly parallel programs within a limited class of parallel algorithms and is being extended to cover a broader class. The individual parallel constructs which comprise the force methodology are discussed. Of central concern are their semantics, implementation on different architectures and performance implications.

Jordan, H. F.↗