6533b86dfe1ef96bd12c93f3

RESEARCH PRODUCT

Exploiting seeding of random number generators for efficient domain decomposition parallelization of dissipative particle dynamics

Yaser AfsharYaser AfsharAhmadreza PishevarS. WorleyFriederike Schmid

subject

Chemical substanceRandom number generationDissipative particle dynamicsGeneral Physics and AstronomyDomain decomposition methodsParallel computingThermostatlaw.inventionHardware and ArchitecturelawNode (circuits)Pairwise comparisonConstant (mathematics)Mathematics

description

Abstract Dissipative particle dynamics (DPD) is a new promising method commonly used in coarse-grained simulations of soft matter and biomolecular systems at constant temperature. The DPD thermostat involves the evaluation of stochastic or random forces between pairs of neighboring particles in every time step. In a parallel computing environment, the transfer of these forces from node to node can be very time consuming. In this paper we describe the implementation of a seeded random number generator with three input seeds at each step which enables the complete generation of the pairwise stochastic forces in parallel DPD simulations with minimal communication between nodes.

yearjournalcountryeditionlanguage
2013-04-01Computer Physics Communications
https://doi.org/10.1016/j.cpc.2012.12.003