PARALLELIZATION OF A MONTE-CARLO ALGORITHM FOR THE SIMULATION OF POLYMER MELTS

被引：3

作者：

WIDMANN, AH ^{[1
]}

SUTER, UW ^{[1
]}

机构：

[1] ETH ZURICH,INST POLYMERE,CH-8092 ZURICH,SWITZERLAND

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1995年 / 92卷 / 2-3期

关键词：

MONTE CARLO ALGORITHMS; ATOMISTIC SIMULATION; CONFIGURATION-BIAS MONTE CARLO; PARALLEL ALGORITHMS; CONDENSED-PHASE SIMULATION; POLYMER-MELT SIMULATION;

D O I：

10.1016/0010-4655(95)00092-0

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The Continuum-configurational Bias Monte Carlo algorithm (CBMC) is a very efficient method for the simulation of polymer melts. This algorithm is well-suited to parallelization on shared-memory multiprocessors. The main effort for parallelization is often spent in the decomposition of the data structures and the design of the parallel program sections. We present some generally applicable methods to improve the optimization process on shared-memory multiprocessors using global address space and on distributed-memory multicomputers using message passing.

引用

页码：229 / 251

页数：23

共 42 条

[1] CONFORMATIONAL ENERGIES OF N-ALKANES AND RANDOM CONFIGURATION OF HIGHER HOMOLOGS INCLUDING POLYMETHYLENE [J].