MOLECULAR-DYNAMICS ON DISTRIBUTED MEMORY (MIMD) PARALLEL COMPUTERS

被引：19

作者：

SMITH, W

机构：

[1] Theory and Computational Science Division, S.E.R.C. Daresbury Laboratory, Warrington, WA4 4AD, Daresbury

来源：

THEORETICA CHIMICA ACTA | 1993年 / 84卷 / 4-5期

关键词：

MOLECULAR DYNAMICS; MOLECULAR SIMULATION; PARALLEL COMPUTING;

D O I：

10.1007/BF01113277

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Several algorithms are described that have been applied to molecular dynamics simulations and their merits discussed. The subject matter is confined to distributed (MIMD) algorithms. A simple mathematical model is used to illustrate the performance characteristics of a parallel MD algorithm.

引用

页码：385 / 398

页数：14

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[2]

BELAK J, 1992, CCP5 INFORMATION Q, V34, P23

[3]

Bomans L., 1989, Concurrency: Practice and Experience, V1, P3, DOI 10.1002/cpe.4330010103

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