Computing of complex molecule dynamics simulation on PC cluster-based system using MPICH technology
Xin Liu · Jisuanji yu yingyong huaxue · 2005
In the paper a parallel PC cluster system has been constructed with MPICH on Windows2000 operating system,and at same time through molecular dynamics software Protomol and VMD ( Visual Molecular Dynamics) tool some high computing effective had been obtained with the parallel distributed MPI functions for describing complex molecule dynamic behaviors written by VC ++6.0. The PC cluster system and corresponding method would be very easy and convenience for most chemical or other researchers.As a result the computing performance has been obviously improved,that is to say,the computing speedup of the system will be three times or more than those computing on any single PC system.