Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth
Abstract
We have generalized and implemented the hybrid asynchronous algorithm, originally proposed for parallel simulations of the spinflip Ising model, in order to carry out parallel kinetic Monte Carlo (KMC) simulations. The parallel performance has been tested using a simple model of thinfilm growth in both 1D and 2D. We also briefly describe how the data collection must be modified as compared to the case of the spinflip Ising model in order to carry out rigorous data collection. Due to the presence of a wide range of rates in the simulations, this algorithm turns out to be very inefficient. The poor parallel performance results from three factors: (1) the high probability of selecting a Metropolis Monte Carlo (MMC) move (2) the low acceptance probability of boundary moves and (3) the high cost of communications which is required before every MMC move. We also find that the parallel efficiency in two dimensions is lower than in onedimension due to the higher probability of selecting an MMC attempt, suggesting that this algorithm may not be suitable for KMC simulations of twodimensional thinfilm growth.
 Authors:
 Department of Physics and Astronomy, University of Toledo, McMaster Hall, Mailstop 111, 2801 W. Bancroft Street, Toledo, OH 43606 (United States)
 Department of Physics and Astronomy, University of Toledo, McMaster Hall, Mailstop 111, 2801 W. Bancroft Street, Toledo, OH 43606 (United States). Email: jamar@physics.utoledo.edu
 Publication Date:
 OSTI Identifier:
 20767029
 Resource Type:
 Journal Article
 Resource Relation:
 Journal Name: Journal of Computational Physics; Journal Volume: 212; Journal Issue: 1; Other Information: DOI: 10.1016/j.jcp.2005.07.005; PII: S00219991(05)003220; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALGORITHMS; COMPUTERIZED SIMULATION; CRYSTAL GROWTH; ISING MODEL; MONTE CARLO METHOD; PROBABILITY; SPIN FLIP; THIN FILMS; TWODIMENSIONAL CALCULATIONS
Citation Formats
Shim, Yunsic, and Amar, Jacques G. Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth. United States: N. p., 2006.
Web. doi:10.1016/j.jcp.2005.07.005.
Shim, Yunsic, & Amar, Jacques G. Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth. United States. doi:10.1016/j.jcp.2005.07.005.
Shim, Yunsic, and Amar, Jacques G. Fri .
"Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth". United States.
doi:10.1016/j.jcp.2005.07.005.
@article{osti_20767029,
title = {Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth},
author = {Shim, Yunsic and Amar, Jacques G.},
abstractNote = {We have generalized and implemented the hybrid asynchronous algorithm, originally proposed for parallel simulations of the spinflip Ising model, in order to carry out parallel kinetic Monte Carlo (KMC) simulations. The parallel performance has been tested using a simple model of thinfilm growth in both 1D and 2D. We also briefly describe how the data collection must be modified as compared to the case of the spinflip Ising model in order to carry out rigorous data collection. Due to the presence of a wide range of rates in the simulations, this algorithm turns out to be very inefficient. The poor parallel performance results from three factors: (1) the high probability of selecting a Metropolis Monte Carlo (MMC) move (2) the low acceptance probability of boundary moves and (3) the high cost of communications which is required before every MMC move. We also find that the parallel efficiency in two dimensions is lower than in onedimension due to the higher probability of selecting an MMC attempt, suggesting that this algorithm may not be suitable for KMC simulations of twodimensional thinfilm growth.},
doi = {10.1016/j.jcp.2005.07.005},
journal = {Journal of Computational Physics},
number = 1,
volume = 212,
place = {United States},
year = {Fri Feb 10 00:00:00 EST 2006},
month = {Fri Feb 10 00:00:00 EST 2006}
}

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