Study on Research for LAMMPS Based on Hybrid Parallel

Facing the speed bottleneck problem in serial calculations on the molecular dynamics simulation,we design aparallel computing model to accelerate the speed of calculation.the MPI+OpenMP parallel model is drowed into molecular dynamics simulation software LAMMPS.This model can provide the parallel processing in LAMMPS.It is make full use of cluster advantages,and improves the simulation speed.Experimental results show that by ten nodes,Using the parallel model,The speedup is improve at least 8times.