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The hybrid atomistic-continuum (HAC) simulation based on geometric coupling has intrinsic load imbalance under conventional parallel decomposition method. This paper presents qualitative guiding rules for alleviating load imbalance in the HAC simulation. We reveal the intrinsic load imbalance in the HAC parallel simulation, analyze the coupling procedures involved in the coupling exchange and present two qualitative decomposition rules for the atomistic region decomposition. The results of the benchmark case show the decomposition style under the guiding rules instruction performs much better than the default decomposition method which coupling overhead is only 58% of the default and communication time consuming is 75% of the default.

Investigation of load imbalance in the hybrid atomistic-continuum simulation based on geometric coupling