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Parallelization, Processor Communication And Error Analysis In Lattice Kinetic Monte Carlo, Giorgos Arampatzis, Markos Katsoulakis, Petr Plechac

Markos Katsoulakis

In this paper we study from a numerical analysis perspective the fractional step kinetic Monte Carlo (FS-KMC) algorithms proposed in [G. Arampatzis, M. A. Katsoulakis, P. Plechac, M. Taufer, and L. Xu, J. Comput. Phys., 231 (2012), pp. 7795--7814] for the parallel simulation of spatially distributed particle systems on a lattice. FS-KMC are fractional step algorithms with a time-stepping window $\Delta t$, and as such they are inherently partially asynchronous since there is no processor communication during the period $\Delta t$. In this contribution we primarily focus on the error analysis of FS-KMC algorithms as approximations of conventional, serial KMC. …