Abstract
An efficient hybrid genetic algorithm and particle swarm optimization algorithm (HGAPSO)is studied in this work for load balancing of molecular dynamics simulations (MDS) on heterogeneous supercomputers by combining the genetic algorithm (GA) and the particle swarm optimization (PSO) algorithm. A hybrid CPU-GPU platform is applied to enabling large-scale MDS that emulates the metal solidification. Applied to task scheduling of the parallel algorithm, the approach obtains excellent results. The experimental results show that the proposed algorithm can improve the efficiency of parallel computing and the precision of physical simulation.
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