PARALLEL MOLECULAR-DYNAMICS SIMULATIONS OF ORGANIC MATERIALS

被引：4

作者：

PLIMPTON, S

HENDRICKSON, B

机构：

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C-PHYSICS AND COMPUTERS | 1994年 / 5卷 / 02期

关键词：

D O I：

10.1142/S0129183194000350

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

A new parallel algorithm suitable for molecular dynamics simulations of organic systems is presented. It reduces the communication cost and memory requirements of other commonly-used parallel algorithms by a factor of square-root P where P is the number of processors. The algorithm has been implemented in a CHARMM-like molecular dynamics model and its performance on 1024-processor nCUBE 2 and Intel Paragon machines is discussed.

引用

页码：295 / 298

页数：4