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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Performance Comparison of a Set of Periodic and Non-Periodic Tridiagonal Solvers on SP2 and Paragon Parallel Computers

Various tridiagonal solvers have been proposed in recent years for different parallel platforms. In this paper, the performance of three tridiagonal solvers, namely, the parallel partition LU algorithm, the parallel diagonal dominant algorithm, and the reduced diagonal dominant algorithm, is studied. These algorithms are designed for distributed-memory machines and are tested on an Intel Paragon and an IBM SP2 machines. Measured results are reported in terms of execution time and speedup. Analytical study are conducted for different communication topologies and for different tridiagonal systems. The measured results match the analytical results closely. In addition to address implementation issues, performance considerations such as problem sizes and models of speedup are also discussed.

Sun, Xian-He↗
DOE OSTI2023

Reinforcement Learning for Load-balanced Parallel Particle Tracing

We explore an online reinforcement learning (RL) paradigm to dynamically optimize parallel particle tracing performance in distributed-memory systems. Our method combines three novel components: (1) a work donation algorithm, (2) a high-order workload estimation model, and (3) a communication cost model. First, we design an RL-based work donation algorithm. Our algorithm monitors workloads of processes and creates RL agents to donate data blocks and particles from high-workload processes to low-workload processes to minimize program execution time. The agents learn the donation strategy on the fly based on reward and cost functions designed to consider processes' workload changes and data transfer costs of donation actions. Second, we propose a workload estimation model, helping RL agents estimate the workload distribution of processes in future computations. Third, we design a communication cost model that considers both block and particle data exchange costs, helping RL agents make effective decisions with minimized communication costs. We demonstrate that our algorithm adapts to different flow behaviors in large-scale fluid dynamics, ocean, and weather simulation data. Our algorithm improves parallel particle tracing performance in terms of parallel efficiency, load balance, and costs of I/O and communication for evaluations with up to 16,384 processors.

Distributed and parallel particle tracing↗
DOE OSTI2019

Avoiding Communication in Primal and Dual Block Coordinate Descent Methods

Primal and dual block coordinate descent methods are iterative methods for solving regularized and unregularized optimization problems. Distributed-memory parallel implementations of these methods have become popular in analyzing large machine learning datasets. However, existing implementations communicate at every iteration, which, on modern data center and supercomputing architectures, often dominates the cost of floating-point computation. Recent results on communication-avoiding Krylov subspace methods suggest that large speedups are possible by re-organizing iterative algorithms to avoid communication. We show how applying similar algorithmic transformations can lead to primal and dual block coordinate descent methods that only communicate every $s$ iterations---where $s$ is a tuning parameter---instead of every iteration for the regularized least-squares problem. We show that the communication-avoiding variants reduce the number of synchronizations by a factor of $s$ on distributed-memory parallel machines without altering the convergence rate and attain strong scaling speedups of up to $6.1\times$ over the “standard algorithm" on a Cray XC30 supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Extreme Scale De Novo Metagenome Assembly

Metagenome assembly is the process of transforming a set of short, overlapping, and potentially erroneous DNA segments from environmental samples into the accurate representation of the underlying microbiomes's genomes. State-of-the-art tools require big shared memory machines and cannot handle contemporary metagenome datasets that exceed Terabytes in size. In this paper, we introduce the MetaHipMer pipeline, a high-quality and high-performance metagenome assembler that employs an iterative de Bruijn graph approach. MetaHipMer leverages a specialized scaffolding algorithm that produces long scaffolds and accommodates the idiosyncrasies of metagenomes. MetaHipMer is end-to-end parallelized using the Unified Parallel C language and therefore can run seamlessly on shared and distributed-memory systems. Experimental results show that MetaHipMer matches or outperforms the state-of-the-art tools in terms of accuracy. Ultimately, MetaHipMer scales efficiently to large concurrencies and is able to assemble previously intractable grand challenge metagenomes. We demonstrate the unprecedented capability of MetaHipMer by computing the first full assembly of the Twitchell Wetlands dataset, consisting of 7.5 billion reads - size 2.6 TBytes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Three-Dimensional High-Lift Analysis Using a Parallel Unstructured Multigrid Solver

A directional implicit unstructured agglomeration multigrid solver is ported to shared and distributed memory massively parallel machines using the explicit domain-decomposition and message-passing approach. Because the algorithm operates on local implicit lines in the unstructured mesh, special care is required in partitioning the problem for parallel computing. A weighted partitioning strategy is described which avoids breaking the implicit lines across processor boundaries, while incurring minimal additional communication overhead. Good scalability is demonstrated on a 128 processor SGI Origin 2000 machine and on a 512 processor CRAY T3E machine for reasonably fine grids. The feasibility of performing large-scale unstructured grid calculations with the parallel multigrid algorithm is demonstrated by computing the flow over a partial-span flap wing high-lift geometry on a highly resolved grid of 13.5 million points in approximately 4 hours of wall clock time on the CRAY T3E.

Mavriplis, Dimitri J.↗
NASA NTRS1990

Execution time support for scientific programs on distributed memory machines

Optimizations are considered that are required for efficient execution of code segments that consists of loops over distributed data structures. The PARTI (Parallel Automated Runtime Toolkit at ICASE) execution time primitives are designed to carry out these optimizations and can be used to implement a wide range of scientific algorithms on distributed memory machines. These primitives allow the user to control array mappings in a way that gives an appearance of shared memory. Computations can be based on a global index set. Primitives are used to carry out gather and scatter operations on distributed arrays. Communications patterns are derived at runtime, and the appropriate send and receive messages are automatically generated.

Berryman, Harry↗
NASA NTRS1990

Highly parallel sparse Cholesky factorization

Several fine grained parallel algorithms were developed and compared to compute the Cholesky factorization of a sparse matrix. The experimental implementations are on the Connection Machine, a distributed memory SIMD machine whose programming model conceptually supplies one processor per data element. In contrast to special purpose algorithms in which the matrix structure conforms to the connection structure of the machine, the focus is on matrices with arbitrary sparsity structure. The most promising algorithm is one whose inner loop performs several dense factorizations simultaneously on a 2-D grid of processors. Virtually any massively parallel dense factorization algorithm can be used as the key subroutine. The sparse code attains execution rates comparable to those of the dense subroutine. Although at present architectural limitations prevent the dense factorization from realizing its potential efficiency, it is concluded that a regular data parallel architecture can be used efficiently to solve arbitrarily structured sparse problems. A performance model is also presented and it is used to analyze the algorithms.

Gilbert, John R.↗
NASA NTRS1995

Slices: A Scalable Partitioner for Finite Element Meshes

A parallel partitioner for partitioning unstructured finite element meshes on distributed memory architectures is developed. The element based partitioner can handle mixtures of different element types. All algorithms adopted in the partitioner are scalable, including a communication template for unpredictable incoming messages, as shown in actual timing measurements.

partitioner finite element meshes parallel computi↗
NASA NTRS1994

Boundary element analysis on vector and parallel computers

Boundary element analysis (BEA) can be characterized as a numerical technique that generally shifts the computational burden in the analysis toward numerical integration and the solution of nonsymmetric and either dense or blocked sparse systems of algebraic equations. Researchers have explored the concept that the fundamental characteristics of BEA can be exploited to generate effective implementations on vector and parallel computers. In this paper, the results of some of these investigations are discussed. The performance of overall algorithms for BEA on vector supercomputers, massively data parallel single instruction multiple data (SIMD), and relatively fine grained distributed memory multiple instruction multiple data (MIMD) computer systems is described. Some general trends and conclusions are discussed, along with indications of future developments that may prove fruitful in this regard.

Kane, J. H.↗
DOE OSTI2021

PLANC: Parallel Low-rank Approximation with Nonnegativity Constraints

In this work, we consider the problem of low-rank approximation of massive dense nonnegative tensor data, for example, to discover latent patterns in video and imaging applications. As the size of data sets grows, single workstations are hitting bottlenecks in both computation time and available memory. We propose a distributed-memory parallel computing solution to handle massive data sets, loading the input data across the memories of multiple nodes, and performing efficient and scalable parallel algorithms to compute the low-rank approximation. We present a software package called Parallel Low-rank Approximation with Nonnegativity Constraints, which implements our solution and allows for extension in terms of data (dense or sparse, matrices or tensors of any order), algorithm (e.g., from multiplicative updating techniques to alternating direction method of multipliers), and architecture (we exploit GPUs to accelerate the computation in this work). We describe our parallel distributions and algorithms, which are careful to avoid unnecessary communication and computation, show how to extend the software to include new algorithms and/or constraints, and report efficiency and scalability results for both synthetic and real-world data sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Parallel Fokker–Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers

A major challenge for the conventional Direct Simulation Monte Carlo (DSMC) technique lies in the fact that its computational cost becomes prohibitive in the near continuum regime, where the Knudsen number (Kn)—characterizing the degree of rarefaction—becomes small. In contrast, the Fokker–Planck (FP) based particle Monte Carlo scheme allows for computationally efficient simulations of rarefied gas flows in the low and intermediate Kn regime. The Fokker–Planck collision operator—instead of performing binary collisions employed by the DSMC method—integrates continuous stochastic processes for the phase space evolution in time. This allows for time step and grid cell sizes larger than the respective collisional scales required by DSMC. Dynamically switching between the FP and the DSMC collision operators in each computational cell is the basis of the combined FP-DSMC method, which has been proven successful in simulating flows covering the whole Kn range. Until recently, this algorithm had only been applied to two-dimensional test cases. In this contribution, we present the first general purpose implementation of the combined FP-DSMC method. Utilizing both shared- and distributed-memory parallelization, this implementation provides the capability for simulations involving many particles and complex geometries by exploiting state of the art computer cluster technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1999

Dynamic Load Balancing for Adaptive Computations on Distributed-Memory Machines

Dynamic load balancing is central to adaptive mesh-based computations on large-scale parallel computers. The principal investigator has investigated various issues on the dynamic load balancing problem under NASA JOVE and JAG rants. The major accomplishments of the project are two graph partitioning algorithms and a load balancing framework. The S-HARP dynamic graph partitioner is known to be the fastest among the known dynamic graph partitioners to date. It can partition a graph of over 100,000 vertices in 0.25 seconds on a 64- processor Cray T3E distributed-memory multiprocessor while maintaining the scalability of over 16-fold speedup. Other known and widely used dynamic graph partitioners take over a second or two while giving low scalability of a few fold speedup on 64 processors. These results have been published in journals and peer-reviewed flagship conferences.

Source record↗
DOE OSTI2019

A communication-avoiding 3D algorithm for sparse LU factorization on heterogeneous systems

We propose a new algorithm to improve the strong scalability of right-looking sparse LU factorization on distributed memory systems. Our 3D algorithm for sparse LU uses a three-dimensional MPI process grid, exploits elimination tree parallelism, and trades off increased memory for reduced per-process communication. We also analyze the asymptotic improvements for planar graphs (e.g., those arising from 2D grid or mesh discretizations) and certain non-planar graphs (specifically for 3D grids and meshes). For a planar graph with $n$ vertices, our algorithm reduces communication volume asymptotically in $n$ by a factor of $\mathscr{O}$ $\Big(\sqrt{log \ n}\Big)$ and latency by a factor of $\mathscr{O}$ $(log \ n)$. For nonplanar cases, our algorithm can reduce the per-process communication volume by 3× and latency by $\mathscr{O}$ $\Big(n^\frac13\Big)$ times. In all cases, the memory needed to achieve these gains is a constant factor. We implemented our algorithm by extending the 2D data structure used in SuperLU_DIST. Our new 3D code achieves empirical speedups up to 27× for planar graphs and up to 3.3× for non-planar graphs over the baseline 2D SuperLU_DIST when run on 24,000 cores of a Cray XC30. We extend the 3D algorithm for heterogeneous architectures by adding the Highly Asynchronous Lazy Offload (Halo) algorithm for co-processor offload. On 4096 nodes of a Cray XK7 with 32,768 CPU cores and 4096 Nvidia K20x GPUs, the 3D algorithm achieves empirical speedups up to 24× for planar graphs and 3.5× for non-planar graphs over the baseline 2D SuperLU_DIST with co-processor acceleration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A Communication-Avoiding 3D LU Factorization Algorithm for Sparse Matrices

We propose a new algorithm to improve the strong scalability of right-looking sparse LU factorization on distributed memory systems. Our 3D sparse LU algorithm uses a three-dimensional MPI process grid, aggressively exploits elimination tree parallelism and trades off increased memory for reduced per-process communication. We also analyze the asymptotic improvements for planar graphs (e.g., from 2D grid or mesh domains) and certain non-planar graphs (specifically for 3D grids and meshes). For planar graphs with n vertices, our algorithm reduces communication volume asymptotically in n by a factor of O{log n} and latency by a factor of O{log n}. For non-planar cases, our algorithm can reduce the per-process communication volume by 3× and latency by O{n^1/3} times. In all cases, the memory needed to achieve these gains is a constant factor. We implemented our algorithm by extending the 2D data structure used in superLU. Our new 3D code achieves speedups up to 27× for planar graphs and up to 3.3× for non-planar graphs over the baseline 2D superLU when run on 24,000 cores of a Cray XC30.

Sao, Piyush↗
NASA NTRS1993

Use of networked workstations for parallel nonlinear structural dynamic simulations of rotating bladed-disk assemblies

The principal objective of this research is to investigate, develop and demonstrate coarse-grained, parallel-processing strategies for nonlinear dynamic simulations for rotating bladed-disk assemblies. The parallel -processing strategies addressed include numerical algorithms for parallel nonlinear solutions and techniques to effect load balancing among processors. The parallel environment employed is a distributed-memory, coarse-grained one consisting of networked workstations. A parallel explicit time integration method has been implemented for transient nonlinear solutions of rotationg bladed-disk assemblies. Automatic domain partitioning techniques have been investigated for load balancing among processors. Advanced computing environments, data structures and interactive computer graphics all contribute to an integrated parallel finite element analysis system to facilitate more efficient and powerful dynamic simulations.

Hsieh, Shang-Hsien↗
DOE OSTI2020

GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems

The solution of eigenproblems is often a key computational bottleneck that limits the tractable system size of numerical algorithms, among them electronic structure theory in chemistry and in condensed matter physics. Large eigenproblems can easily exceed the capacity of a single compute node, thus must be solved on distributed-memory parallel computers. We here present GPU-oriented optimizations of the ELPA two-stage tridiagonalization eigensolver (ELPA2). On top of cuBLAS-based GPU offloading, we add a CUDA kernel to speed up the back-transformation of eigenvectors, which can be the computationally most expensive part of the two-stage tridiagonalization algorithm. Furthermore, we benchmark the performance of this GPU-accelerated eigensolver on two hybrid CPU–GPU architectures, namely a compute cluster based on Intel Xeon Gold CPUs and NVIDIA Volta GPUs, and the Summit supercomputer based on IBM POWER9 CPUs and NVIDIA Volta GPUs. Consistent with previous benchmarks on CPU-only architectures, the GPU-accelerated two-stage solver exhibits a parallel performance superior to the one-stage counterpart. Finally, we demonstrate the performance of the GPU-accelerated eigensolver developed in this work for routine semi-local KS-DFT calculations comprising thousands of atoms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

A portable MPI-based parallel vector template library

This paper discusses the design and implementation of a polymorphic collection library for distributed address-space parallel computers. The library provides a data-parallel programming model for C++ by providing three main components: a single generic collection class, generic algorithms over collections, and generic algebraic combining functions. Collection elements are the fourth component of a program written using the library and may be either of the built-in types of C or of user-defined types. Many ideas are borrowed from the Standard Template Library (STL) of C++, although a restricted programming model is proposed because of the distributed address-space memory model assumed. Whereas the STL provides standard collections and implementations of algorithms for uniprocessors, this paper advocates standardizing interfaces that may be customized for different parallel computers. Just as the STL attempts to increase programmer productivity through code reuse, a similar standard for parallel computers could provide programmers with a standard set of algorithms portable across many different architectures. The efficacy of this approach is verified by examining performance data collected from an initial implementation of the library running on an IBM SP-2 and an Intel Paragon.

Sheffler, Thomas J.↗