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PMID: 11384401 Published · ppublish English Journal Article

Mathematical analysis of coupled parallel simulations.

Physical review letters ·Vol. 86 ·No. 22 ·2001-05-28 ·Pages 4983-7

Shirts MR, Pande VS

Abstract

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.

Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Shirts M R
Department of Chemistry, Stanford University, Stanford, California 94305-5080, USA.
Pande V S
Article Info
Journal
Physical review letters
Abbr.
Phys Rev Lett
ISSN
0031-9007
Published
2001-05-28
Pages
4983-7
Language
English
Region
United States
NLM ID
0401141
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