PARALLELIZING MOLECULAR-DYNAMICS PROGRAMS FOR DISTRIBUTED-MEMORY MACHINES

被引：31

作者：

HWANG, YS ^{[1
]}

DAS, R ^{[1
]}

SALTZ, JH ^{[1
]}

机构：

[1] NIH,BETHESDA,MD 20892

来源：

IEEE COMPUTATIONAL SCIENCE & ENGINEERING | 1995年 / 2卷 / 02期

关键词：

D O I：

10.1109/99.388949

中图分类号：

TP301 [理论、方法];

学科分类号：

081202 ;

摘要：

Using a data-parallel strategy to parallelize molecular dynamics programs makes it possible to simulate very large molecules on large numbers of processors. Applying an appropriate combination of data partitioning and iteration distribution algorithms not only optimizes communication overheads but also achieves good load balance, and hence good performance.

引用

页码：18 / 29

页数：12

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