An approach to the parallelization is proposed on the network of workstation,that simulates the produce of the thin film deposition with a scale of 100×100×100 atomic sites in three-dimension by Monte Carlo method.It uses a efficient parallel algorithm for the thin film deposition simulation using domain decomposition and asynchronous parallel communication,and adopts the reasonable division of domain with the topology geometric of space filling in the film deposition process.The results show that parallel processing generated by these methods can make communication overhead fallen off considerably,and the parallel performance of algorithm improved and computation time for the thin film deposition decreased largely.