%0 Journal Article
%T Research of Optimization and Parallelization for Molecular Dynamics Simulation<br>分子动力学模拟的优化与并行研究
%A ZHANG Qin-yong
%A JIANG Hong-chuan
%A LIU Cui-hua
%A <br>张勤勇
%A 蒋洪川
%A 刘翠华
%J 计算机应用研究
%D 2005
%I 
%X Analyzes the algorithmic character of molecular dynamics simulation, and optimizes the serial program. In the task decompose for parallelization, spatial decomposition method is adopted, and part of area is keeping as overlap in neighbor subarea. On the basis of the message passing parallel programming platform MPI, and on the network of workstation, parallelization is implemented. In the parallel environment, the parallel efficiency is above 90%.
%K Molecular Dynamics Simulation
%K Optimization
%K Parallelization<br>分子动力学模拟
%K 优化
%K 并行
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=8240383F08CE46C8B05036380D75B607&jid=A9D9BE08CDC44144BE8B5685705D3AED&aid=CE63CA6EEF7EAB6B&yid=2DD7160C83D0ACED&vid=BC12EA701C895178&iid=5D311CA918CA9A03&sid=656F8C8401D91023&eid=CD775AE9DDBD7B53&journal_id=1001-3695&journal_name=计算机应用研究&referenced_num=1&reference_num=7