Efficiency of parallel CBMC simulations

Authors
Vlugt, TJH
Citation
Tjh. Vlugt, Efficiency of parallel CBMC simulations, MOL SIMULAT, 23(1), 1999, pp. 63-78
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR SIMULATION
ISSN journal
08927022 → ACNP
Volume
23
Issue
1
Year of publication
1999
Pages
63 - 78
Database
ISI
SICI code
0892-7022(1999)23:1<63:EOPCS>2.0.ZU;2-2
Abstract
Configurational Bias Monte Carlo (CBMC) simulations are often used to compu te thermodynamic properties of flexible chain molecules. These calculations are still computationally expensive. In this article we will present a par allel CBMC algorithm to reduce the total simulation time. We have tested ou r algorithm on several parallel computers and we obtained a good scaling fo r 16 processors.