Large-scale lattice gas Monte Carlo simulations for the generalized Ising model

Start Page
1234
End Page
1241
Article Number
6012860
Citation
Proceedings - 25th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2011 ; 16 - 20 May 2011, Anchorage, Alaska, USA. - (): 6012860 1234-1241 (2011)
Contribution to Conference
25th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2011  
Publisher DOI
10.1109/IPDPS.2011.117
Scopus ID
2-s2.0-80053243245
Publisher
IEEE
We present an efficient parallel algorithm for lattice gas Monte Carlo simulations in the framework of an Ising model that allows arbitrary interaction on any lattice, a model often called a cluster expansion. Thermodynamic Monte Carlo simulations strive for the equilibrium properties of a system by exchanging atoms over a long range, while preserving detailed balance. This long-range exchange of atoms renders other frequent parallelization techniques, like domain decomposition, unfavorable due to excessive communication cost. Our ansatz, based on the Metropolis algorithm, minimizes communication between parallel processes. We present this new "partial sequence preserving" (PSP) algorithm, as well as benchmark data for a physical alloy system (NiAl) comprised of one billion atoms. © 2011 IEEE.
DDC Class
540: Chemie
600: Technik
620: Ingenieurwissenschaften