A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling

Li, Ying Wai; Vogel, Thomas; Wüst, Thomas; Landau, David P.

doi:10.1088/1742-6596/510/1/012012

A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling

Journal Article · Thu May 15 00:00:00 EDT 2014 · Journal of Physics. Conference Series

DOI:https://doi.org/10.1088/1742-6596/510/1/012012· OSTI ID:1567362

Li, Ying Wai ^[1]; Vogel, Thomas ^[2]; Wüst, Thomas ^[3]; Landau, David P. ^[4]

Univ. of Georgia, Athens, GA (United States). Center for Simulational Physics; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences
Univ. of Georgia, Athens, GA (United States). Center for Simulational Physics; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Swiss Federal Research Inst., Birmensdorf (Switzerland)
Univ. of Georgia, Athens, GA (United States). Center for Simulational Physics

We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang-Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1567362

Alternate ID(s):: OSTI ID: 1133554
OSTI ID: 22374937

Journal Information:: Journal of Physics. Conference Series, Journal Name: Journal of Physics. Conference Series Vol. 510; ISSN 1742-6588

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Correlation function behavior in the topological Kosterlitz–Thouless transition using the Replica-Exchange Wang–Landau technique Figueiredo, T. P.; Costa, B. V. International Journal of Modern Physics B, Vol. 33, Issue 30 https://doi.org/10.1142/s0217979219503612	journal	December 2019

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