An adaptive load balancing method for parallel molecular dynamics simulations

被引：26

作者：

Deng, YF ^{[1
]}

Peierls, RF

Rivera, C

机构：

[1] SUNY Stony Brook, Ctr Comp Sci, Stony Brook, NY 11794 USA

[2] IBM Corp, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 2000年 / 161卷 / 01期

基金：

美国国家科学基金会;

关键词：

load balance; parallel computing; molecular dynamics;

D O I：

10.1006/jcph.2000.6501

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We describe an adaptive method for achieving load balance in parallel computations simulating phenomena which are distributed over a spatially extended region, but are local in nature. We have tested the method on standard short-ranged parallel molecular dynamics calculations. The performance gain we observe confirms the value of the method for this type of calculation. We discuss possible generalizations of the method, for example, to higher dimensions. (C) 2000 Academic Press.

引用

页码：250 / 263

页数：14

共 10 条

[1]

Allen M. P., 1987, COMPUTER SIMULATIONS, DOI [10.1093/oso/9780198803195.001.0001, DOI 10.1093/OSO/9780198803195.001.0001]

[2]

DENG YF, 1995, SIAM PROC S, P605

[3] MOLECULAR-DYNAMICS ON DISTRIBUTED-MEMORY MIMD COMPUTERS WITH LOAD BALANCING [J].

DENG, YF ;

MCCOY, RA ;

MARR, RB ;

PEIERLS, RF ;

YASAR, O .

APPLIED MATHEMATICS LETTERS, 1995, 8 (03) :37-41

[4] ADAPTIVE GRID GENERATION BY MEAN-VALUE RELAXATION [J].

EISEMAN, PR .

JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME, 1985, 107 (04) :477-483

[5] ADAPTIVE GRID GENERATION [J].

EISEMAN, PR .

COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, 1987, 64 (1-3) :321-376

[6]

HALLE J, 1992, MOL DYNAMICS SIMULAT

[7]

Hockney R. W., 1988, COMPUTER SIMULATION

[8]

HOOVER WG, 1986, LECT NOTES PHYSICS, V258

[9] Parallel particle simulations of thin-film deposition [J].

McCoy, RA ;

Deng, YF .

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, 1999, 13 (01) :16-32

[10] FAST PARALLEL ALGORITHMS FOR SHORT-RANGE MOLECULAR-DYNAMICS [J].

PLIMPTON, S .

JOURNAL OF COMPUTATIONAL PHYSICS, 1995, 117 (01) :1-19

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