计算机集群上基于域的分解并行分子动力学算法

Fourth International Conference on Fuzzy Systems and Knowledge Discovery (FSKD 2007) Pub Date : 2007-08-24 DOI:10.1109/FSKD.2007.260

JiuLing Zhao, Jiufen Zhao

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引用次数: 0

摘要

基于MPI和C/ c++，在微正则系统(NVE)上实现了一种基于八叉树域分解方法的分子动力学并行算法，并在小型集群上运行。对N = 192到10800的粒子数量和P = 2到8的处理器数量进行了代码加速测试。因此，系统的计算性能得到了明显的提高，即系统的计算速度可以达到单台计算机的三倍甚至更多。

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Domain-Based Decomposition Parallel Molecular Dynamics Algorithm on Computer Clusters

With MPI and C/C++, a parallel algorithm of molecular dynamics based on octal-tree domain decomposition method was implemented for micro canonical system (NVE), and run the code on a small cluster. The code speed-up was examined for a number of particles ranging from N = 192 to 10800 and for number of processors from P = 2 up to 8. As a result, the computing performance has been improved obviously, that is the computing speedup of the system can be three times or more than those computing on the single computer.

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Fourth International Conference on Fuzzy Systems and Knowledge Discovery (FSKD 2007)

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