Mathematical analysis of coupled parallel simulations

被引：85

作者：

Shirts, MR ^{[1
]}

Pande, VS ^{[1
]}

机构：

[1] Stanford Univ, Dept Chem, Stanford, CA 94305 USA

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 86卷 / 22期

关键词：

D O I：

10.1103/PhysRevLett.86.4983

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A set of parallel replicas of a single simulation can be statistically coupled to closely approximate long trajectories. In many cases, this produces nearly linear speedup over a single simulation (M times faster with M simulations), rendering previously intractable problems within reach of large computer clusters. Interestingly, by varying the coupling of the parallel simulations, it is possible in some systems to obtain greater than linear speedup. The methods are generalizable to any search algorithm with long residence times in intermediate states.

引用

页码：4983 / 4987

页数：5

共 6 条

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BAKER I, IN PRESS J PHYS CHEM

[2] FUNNELS, PATHWAYS, AND THE ENERGY LANDSCAPE OF PROTEIN-FOLDING - A SYNTHESIS [J].