Optimization of parallel algorithm for molecular dynamics based on OpenMP and Multi-Critical
Yusheng Dou · Jisuanji yingyong yanjiu · 2012
In order to improve the computing speed of molecular dynamics simulation on mutil-core shared memory server,this paper proposed Multi-Critical algorithm based on existing parallel algorithm.This algorithm used manual division force matrix,to make mutilple threads enter different critical section with different name,and the method of the superposition block optimized parallel algorithm,improved the parallel efficiency.The experimental results show that,compared to the previous critical algorithm,proposed algorithm's speedup and parallel efficiency has a relatively large increase.