For molecular dynamics requires high-performance computers or supercomputers to handle huge amount of computation, it is not until recent days that the application of molecular dynamics to materials fracture simulations draw some attention from many researchers. With the recent advent of high-performance computers, computation intensive methods become more tractable than ever. However, carrying out materials simulation on high-performance computers costs too much in general. In this study, a PC cluster consisting of multiple commodity PCs is established and computer simulations of materials with cracks are carried out on it via molecular dynamics technique. The effect of the number of nodes, speedup factors, and communication time between nodes are measured to verify the performance of the PC cluster. Upon using the PC cluster, materials fracture simulations with more than 50,000 molecules are carried out successfully.