Massively parallel multicanonical simulations

DOI10.1016/J.CPC.2017.10.018zbMATH Open1524.65013arXiv1707.00919OpenAlexW2725750092MaRDI QIDQ6096971FDOQ6096971

Authors: Jonathan Gross, J. Zierenberg, Martin Weigel, Wolfhard Janke 

Publication date: 9 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: Generalized-ensemble Monte Carlo simulations such as the multicanonical method and similar techniques are among the most efficient approaches for simulations of systems undergoing discontinuous phase transitions or with rugged free- energy landscapes. As Markov chain methods, they are inherently serial computationally. It was demonstrated recently, however, that a combination of independent simulations that communicate weight updates at variable intervals allows for the efficient utilization of parallel computational resources for multicanonical simulations. Implementing this approach for the many-thread architecture provided by current generations of graphics processing units (GPUs), we show how it can be efficiently employed with of the order of $10^4$ parallel walkers and beyond, thus constituting a versatile tool for Monte Carlo simulations in the era of massively parallel computing. We provide the fully documented source code for the approach applied to the paradigmatic example of the two-dimensional Ising model as starting point and reference for practitioners in the field.

Full work available at URL: https://arxiv.org/abs/1707.00919

zbMATH Keywords

Ising modelparallel computingMonte Carlo simulationsGPUmulticanonical

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Parallel numerical computation (65Y05)

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Cited In (6)

• Generalized ensemble computer simulations for structure formation of semiflexible polymers
• Usage of a reconfigurable computer to simulate multiparticle systems
• Histogram-free multicanonical Monte Carlo sampling to calculate the density of states
• Nested sampling, statistical physics and the Potts model
• Title not available (Why is that?)
• Massively parallel simulations for disordered systems

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