Abstract: On the basis of the message passing parallel programming platform MPI,and with the high performance characteristics of contemporary microprocessors,it describes the parallelization and optimization for a two dimensional molecular dynamics code(MDP) to simulate the high speed collision physical model problems.The serial optimization has shown to be of double performance improvements,and the parallel efficiencies being above 90% under the cluster consisted of 8 Pentium-Ⅱ microprocessors.

Key words: molecular dynamics, optimization, parallel computing