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

Li, Ying Wai; Vogel, Thomas; Wuest, 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

Conference · Wed Jan 01 04:00:00 EST 2014

DOI:https://doi.org/10.1088/1742-6596/510/1/012012· OSTI ID:1133554

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

ORNL
Los Alamos National Laboratory (LANL)
Swiss Federal Research Institute, Switzerland
University of Georgia, Athens, GA

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.

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

Sponsoring Organization:: SC USDOE - Office of Science (SC)

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1133554

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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