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DOE OSTI2011

Distributed-memory Parallel Algorithms for Matching and Coloring

Graph matching and coloring constitute two fundamental classes of combinatorial problems having numerous established as well as emerging applications in computational science and engineering, high-performance computing, and informatics. We provide a snapshot of an on-going work on the design and implementation of new highly-scalable distributed-memory parallel algorithms for two prototypical problems from these classes, edge-weighted matching and distance-1 vertex coloring. Graph algorithms in general have low concurrency and poor data locality, making it challenging to achieve scalability on massively parallel machines. We overcome this challenge by employing a variety of techniques, including approximation, speculation and iteration, optimized communication, and randomization, in concert. We present preliminary results on weak and strong scalability studies conducted on an IBM Blue Gene/P machine employing up to tens of thousands of processors. The results show that the algorithms hold strong potential for computing at petascale.

Combinatorial scientific computing↗

DOE OSTI2012

Parallel Algorithms for Graph Optimization Using Tree Decompositions

Although many $\cal{NP}$-hard graph optimization problems can be solved in polynomial time on graphs of bounded tree-width, the adoption of these techniques into mainstream scientific computation has been limited due to the high memory requirements of the necessary dynamic programming tables and excessive runtimes of sequential implementations. This work addresses both challenges by proposing a set of new parallel algorithms for all steps of a tree decomposition-based approach to solve the maximum weighted independent set problem. A hybrid OpenMP/MPI implementation includes a highly scalable parallel dynamic programming algorithm leveraging the MADNESS task-based runtime, and computational results demonstrate scaling. This work enables a significant expansion of the scale of graphs on which exact solutions to maximum weighted independent set can be obtained, and forms a framework for solving additional graph optimization problems with similar techniques.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2013

Parallel Algorithms for Graph Optimization using Tree Decompositions

Although many NP-hard graph optimization problems can be solved in polynomial time on graphs of bounded tree-width, the adoption of these techniques into mainstream scientific computation has been limited due to the high memory requirements of required dynamic programming tables and excessive running times of sequential implementations. This work addresses both challenges by proposing a set of new parallel algorithms for all steps of a tree-decomposition based approach to solve maximum weighted independent set. A hybrid OpenMP/MPI implementation includes a highly scalable parallel dynamic programming algorithm leveraging the MADNESS task-based runtime, and computational results demonstrate scaling. This work enables a significant expansion of the scale of graphs on which exact solutions to maximum weighted independent set can be obtained, and forms a framework for solving additional graph optimization problems with similar techniques.

Weerapurage, Dinesh P↗

DOE OSTI2016

A high-performance parallel algorithm for nonnegative matrix factorization

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors W and H, for the given input matrix A, such that A ≈ WH. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient distributed algorithms to solve the problem for big data sets. We propose a high-performance distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems for W and H. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementations, our algorithm is also flexible: (1) it performs well for both dense and sparse matrices, and (2) it allows the user to choose any one of the multiple algorithms for solving the updates to low rank factors W and H within the alternating iterations. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements.

Kannan, Ramakrishnan↗

DOE OSTI2016

HPC-NMF: A High-Performance Parallel Algorithm for Nonnegative Matrix Factorization

NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient distributed algorithms to solve the problem for big data sets. We propose a high-performance distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems for $\WW$ and $\HH$. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementation, our algorithm is also flexible: It performs well for both dense and sparse matrices, and allows the user to choose any one of the multiple algorithms for solving the updates to low rank factors $\WW$ and $\HH$ within the alternating iterations.

Kannan, Ramakrishnan↗

DOE OSTI2016

A low-communication, parallel algorithm for solving PDEs based on range decomposition

This work proposes a new, low-communication algorithm for solving PDEs on massively parallel computers. The range decomposition (RD) algorithm exposes coarse-grain parallelism by applying nested iteration and adaptive mesh refinement locally before performing a global communication step. Just a few such steps are observed to be sufficient to obtain accuracy within a small multiple of discretization error. The target applications are petascale and exascale machines, where hierarchical parallelism is required and traditional parallel numerical PDE communication patterns are costly because of message latency. The RD algorithm uses a partition of unity to equally distribute the error, and thus, the work. The computational advantages of this approach are that the decomposed problems can be solved in parallel without any communication until the partitioned solutions are summed. This offers potential advantages in the paradigm of expensive communication but very cheap computation. This paper introduces the method and explains the details of the communication step. Two performance models are developed, showing that the latency cost associated with a traditional parallel implementation of nested iteration is proportional to log(P) 2 , whereas the RD method reduces the communication latency to log(P), while maintaining similar bandwidth costs. Numerical results for two problems, Laplace and advection diffusion, demonstrate the enhanced performance, and a heuristic argument explains why the method converges quickly.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2010

A Scalable Parallel Algorithm for Large-Scale Protein Sequence Homology Detection

Protein sequence homology detection is a fundamental problem in computational molecular biology, with a pervasive application in nearly all analyses that aim to structurally and functionally characterize protein molecules. While detecting homology between two protein sequences is computationally inexpensive, detecting pairwise homology at a large-scale becomes prohibitive, requiring millions of CPU hours. Yet, there is currently no efficient method available to parallelize this kernel. In this paper, we present the key characteristics that make this problem particularly hard to parallelize, and then propose a new parallel algorithm that is suited for large-scale protein sequence data. Our method, called pGraph, is designed using a hierarchical multiple-master multiple-worker model, where the processor space is partitioned into subgroups and the hierarchy helps in ensuring the workload is load balanced fashion despite the inherent irregularity that may originate in the input. Experimental evaluation demonstrates that our method scales linearly on all input sizes tested (up to 640K sequences) on a 1,024 node supercomputer. In addition to demonstrating strong scaling, we present an extensive study of the various components of the system and related parametric studies.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1985

Variation in efficiency of parallel algorithms

The present study has the objective to investigate some iterative parallel-processor linear equation solving algorithms with respect to efficiency for analyses of typical linear engineering systems. Attention is given to a set of n linear equations, Ku = p, where K = an n x n positive definite, sparsely populated, symmetric matrix, u = an n x 1 vector of unknown responses, and p = an n x 1 vector of prescribed constants. This study is concerned with a hybrid method in which iteration is used to solve the problem, while a direct method is used on the local processor level. Variations in the efficiency of parallel algorithms are explored. Measures of the efficiency are based on computer experiments regarding the algorithms. For all the algorithms, the wall clock time is found to decrease as the number of processors increases.

Hayashi, A.↗

DOE OSTI2013

Parallel algorithms for 2-D cylindrical transport equations of Eigenvalue problem

In this paper, aimed at the neutron transport equations of eigenvalue problem under 2-D cylindrical geometry on unstructured grid, the discrete scheme of Sn discrete ordinate and discontinuous finite is built, and the parallel computation for the scheme is realized on MPI systems. Numerical experiments indicate that the designed parallel algorithm can reach perfect speedup, it has good practicality and scalability. (authors)

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1987

A parallel algorithm for channel routing on a hypercube

A new parallel simulated annealing algorithm for channel routing on a P processor hypercube is presented. The basic idea used is to partition a set of tracks equally among processors in the hypercube. In parallel, P/2 pairs of processors perform displacements and exchanges of nets between tracks, compute the changes in cost functions, and accept moves using a parallel annealing criteria. Through the use of a unique distributed data structure, it is possible to minimize message traffic and add versatility and efficiency in a parallel routing tool. The algorithm has been implemented and is being tested on some of the popular channel problems from the literature.

Brouwer, Randall↗

NASA NTRS1987

Performance of a parallel algorithm for standard cell placement on the Intel Hypercube

A parallel simulated annealing algorithm for standard cell placement that is targeted to run on the Intel Hypercube is presented. A tree broadcasting strategy that is used extensively in our algorithm for updating cell locations in the parallel environment is presented. Studies on the performance of our algorithm on example industrial circuits show that it is faster and gives better final placement results than the uniprocessor simulated annealing algorithms.

Jones, Mark↗

NASA NTRS1991

A parallel algorithm for generation and assembly of finite element stiffness and mass matrices

A new algorithm is proposed for parallel generation and assembly of the finite element stiffness and mass matrices. The proposed assembly algorithm is based on a node-by-node approach rather than the more conventional element-by-element approach. The new algorithm's generality and computation speed-up when using multiple processors are demonstrated for several practical applications on multi-processor Cray Y-MP and Cray 2 supercomputers.

Storaasli, O. O.↗

NASA NTRS1988

Efficient parallel algorithms for string editing and related problems

The string editing problem for input strings x and y consists of transforming x into y by performing a series of weighted edit operations on x of overall minimum cost. An edit operation on x can be the deletion of a symbol from x, the insertion of a symbol in x or the substitution of a symbol x with another symbol. This problem has a well known O((absolute value of x)(absolute value of y)) time sequential solution (25). The efficient Program Requirements Analysis Methods (PRAM) parallel algorithms for the string editing problem are given. If m = ((absolute value of x),(absolute value of y)) and n = max((absolute value of x),(absolute value of y)), then the CREW bound is O (log m log n) time with O (mn/log m) processors. In all algorithms, space is O (mn).

Apostolico, Alberto↗

NASA NTRS1989

A parallel algorithm for the eigenvalues and eigenvectors for a general complex matrix

A new parallel Jacobi-like algorithm is developed for computing the eigenvalues of a general complex matrix. Most parallel methods for this parallel typically display only linear convergence. Sequential norm-reducing algorithms also exit and they display quadratic convergence in most cases. The new algorithm is a parallel form of the norm-reducing algorithm due to Eberlein. It is proven that the asymptotic convergence rate of this algorithm is quadratic. Numerical experiments are presented which demonstrate the quadratic convergence of the algorithm and certain situations where the convergence is slow are also identified. The algorithm promises to be very competitive on a variety of parallel architectures.

Shroff, Gautam↗

NASA NTRS1987

Performance of a parallel algorithm for standard cell placement on the Intel Hypercube

A parallel simulated annealing algorithm for standard cell placement on the Intel Hypercube is presented. A novel tree broadcasting strategy is used extensively for updating cell locations in the parallel environment. Studies on the performance of the algorithm on example industrial circuits show that it is faster and gives better final placement results than uniprocessor simulated annealing algorithms.

Jones, Mark↗

DOE OSTI2017

PSelInv – A distributed memory parallel algorithm for selected inversion: The non-symmetric case

This paper generalizes the parallel selected inversion algorithm called PSelInv to sparse non-symmetric matrices. We assume a general sparse matrix A has been decomposed as $PAQ$ = $LU$ on a distributed memory parallel machine, where L, U are lower and upper triangular matrices, and P, Q are permutation matrices, respectively. The PSelInvmethod computes selected elements of $A$ -1 . The selection is confined by the sparsity pattern of the matrix A T . Here our algorithm does not assume any symmetry properties of A, and our parallel implementation is memory efficient, in the sense that the computed elements of $A$ -T overwrites the sparse matrix $L + U$ in situ . PSelInv involves a large number of collective data communication activities within different processor groups of various sizes. In order to minimize idle time and improve load balancing, tree-based asynchronous communication is used to coordinate all such collective communication. Numerical results demonstrate that PSelInv can scale efficiently to 6,400 cores for a variety of matrices.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

PSelInv—A Distributed Memory Parallel Algorithm for Selected Inversion: The Symmetric Case

We describe an efficient parallel implementation of the selected inversion algorithm for distributed memory computer systems, which we call PSelInv. The PSelInv method computes selected elements of a general sparse matrix Athat can be decomposed as A= LU, where L is lower triangular and U is upper triangular. The implementation described in this article focuses on the case of sparse symmetric matrices. It contains an interface that is compatible with the distributed memory parallel sparse direct factorization SuperLU-DIST. Yet, the underlying data structure and design of PSelInv allows it to be easily combined with other factorization routines, such as PARDISO. We discuss general parallelization strategies such as data and task distribution schemes. Specifically, we describe how to exploit the concurrency exposed by the elimination tree associated with the LU factorization of A. We demonstrate the efficiency and accuracy of PSelInv by presenting several numerical experiments. In particular, we show that PSelInv can run efficiently on more than 4,000 cores for a modestly sized matrix. We also show how PSelInv can be used to accelerate large-scale electronic structure calculations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

An Efficient Deterministic Parallel Algorithm for Adaptive Multidimensional Numerical Integration on GPUs

Recent development in Graphics Processing Units (GPUs) has enabled a new possibility for highly efficient parallel computing in science and engineering. Their massively parallel architecture makes GPUs very effective for algorithms where processing of large blocks of data can be executed in parallel. Multidimensional integration has important applications in areas like computational physics, plasma physics, computational fluid dynamics, quantum chemistry, molecular dynamics and signal processing. The computationally intensive nature of multidimensional integration requires a high-performance implementation. In this study, we present an efficient deterministic parallel algorithm for adaptive multidimensional numerical integration on GPUs. Various optimization techniques are applied to maximize the utilization of the GPU. GPU-based implementation outperforms the best known sequential methods and achieves a speed-up of up to 100. It also shows good scalability with the increase in dimensionality.

Arumugam, Kamesh↗