CONCURRENT MOLECULAR DYNAMICS SIMULATION OF ST2 WATER ON A TRANSPUTER ARRAY

被引：10

作者：

Bruge, F. ^{[1
]}

Martorana, V. ^{[1
]}

Fornili, S. L. ^{[1
,2
]}

机构：

[1] Univ Palermo, Dept Phys, I-90123 Palermo, Italy

[2] CNR IAIF, I-90123 Palermo, Italy

来源：

MOLECULAR SIMULATION | 1988年 / 1卷 / 05期

关键词：

Transputer; MIMD; multiprocessor system; processor array; concurrent water simulation; parallelism;

D O I：

10.1080/08927028808080952

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：

A concurrent implementation of a Molecular Dynamics program for ST2 water molecules is presented, which exploits the great potentialities of the Transputer arrays for statistical mechanical calculations. High load-balance efficiency is obtained using a new task decomposition algorithm which evenly distributes particles and interaction calculations among the processors. This approach can also help to solve efficiently the more general problem of task distribution in parallel computing of symmetric pairwise system properties.

引用

页码：309 / 320

页数：12