Efficiency anylysis of photochemical reactions simulation based on SMP cluster

This paper designed a parallel simulation system of photochemical reactions and realized based on SMP cluster.Implemented photochemical reactions simulation by using atomic decomposition algorithm and parallel matrix multiplication.Investigated the parallel efficiency by using fine-grained method with 8 threads and 16 threads on the condition of using fixed number of processors.Tested on SMP cluster,tested the simulation of the molecular with 500 carbon atoms by using 128-core processor.The parallel efficiency was over 70%.The results also strongly suggest that fine-grained play a greater role on improving the efficiency.The system could simulate photochemical reactions of moleculer system including hundreds of atoms.