Parallelized event chain algorithm for dense hard sphere and polymer systems

We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensu...

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Bibliographic Details
Published in:arXiv.org 2014-11
Main Authors: Kampmann, Tobias Alexander, Horst-Holger Boltz, Kierfeld, Jan
Format: Article
Language:English
Subjects:
Algorithms
Chain mobility
Clusters
Computer simulation
Disk drives
Parallel processing
Polymers
Online Access:Get full text
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Summary:We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensure detailed balance on the level of Monte Carlo sweeps by drawing the starting sphere of event chains within each simulation cell with replacement. We analyze the performance gains for the parallelized event chain and find a criterion for an optimal degree of parallelization. Because of the cluster nature of event chain moves massive parallelization will not be optimal. Finally, we discuss first applications of the event chain algorithm to dense polymer systems, i.e., bundle-forming solutions of attractive semiflexible polymers.
ISSN:2331-8422
DOI:10.48550/arxiv.1409.6948