Billion-atom synchronous parallel kinetic Monte Carlo simulations of critical 3D Ising systems

JOURNAL OF COMPUTATIONAL PHYSICS

卷:230

Article

Martinez, E.²  Monasterio, P. R.³  Marian, J.¹ 

[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA

[2] IMDEA Mat, Madrid 28040, Spain

[3] MIT, Cambridge, MA 02139 USA

关键词: Kinetic Monte Carlo;    Parallel computing;    Discrete lattice;    Ising system;   

DOI  :  10.1016/j.jcp.2010.11.006

来源: Elsevier

【 摘 要 】

An extension of the synchronous parallel kinetic Monte Carlo (spkMC) algorithm developed by Martinez et al. [J. Comp. Phys. 227 (2008) 3804] to discrete lattices is presented. The method solves the master equation synchronously by recourse to null events that keep all processors' time clocks current in a global sense. Boundary conflicts are resolved by adopting a chessboard decomposition into non-interacting sublattices. We find that the bias introduced by the spatial correlations attendant to the sublattice decomposition is within the standard deviation of serial calculations, which confirms the statistical validity of our algorithm. We have analyzed the parallel efficiency of spkMC and find that it scales consistently with problem size and sublattice partition. We apply the method to the calculation of scale-dependent critical exponents in billion-atom 3D Ising systems, with very good agreement with state-of-the-art multispin simulations. Published by Elsevier Inc.

【 授权许可】

Free