Research on parallel matrix multiplication Simulation of Photochemical Reactions
Yusheng Dou · Computer engineering & Software · 2010
Under Linux environment,In order to reduce the running time of simulation of photochemical reactions.Force matrix was divided by ranks for sparse feature of force matrix in simulation of photochemical reactions.It was paralleled with optimized decomposition algorithm by blocks.Parallel programming of photochemical reactions force computing was realized based on OpenMP.The experimental result indicates that single step calculation time was reduced 10-2 order of magnitude for photochemical reactions simulation with 500 carbon atoms.This method enhances parallel speedup more than fourteen-times and gets more than 80%of the efficiency on sixteen core processors.It also provided platform for efficient simulation of macromolecular photochemical reaction.