Domain decomposition scheme for parallel molecular dynamics simulation

被引：6

作者：

Hayashi, R

Horiguchi, S

机构：

来源：

HIGH PERFORMANCE COMPUTING ON THE INFORMATION SUPERHIGHWAY - HPC ASIA '97, PROCEEDINGS | 1997年

关键词：

D O I：

10.1109/HPC.1997.592215

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

Performances of domain decomposition schemes are discussed for S-dimensional Molecular Dynamics simulation on parallel computers. Three types of domain decomposition schemes are applied for the Molecular Dynamics simulation: plane domain, square pillar domain, and cube domain. In order to decide the optimal simulation range of each domain, we give a theoretical performance analysis of parallel simulations by taking account of communication performances of MIMD parallel computers. The optimal simulation ranges for the three domain decomposition schemes are determined and are verified on a parallel computer CM-5.

引用

页码：595 / 600

页数：6