中文

Journal of Shanghai University（Natural Science Edition） ›› 2009, Vol. 15 ›› Issue (2): 164-168.

• Mathematics.Physics and Chemistry • Previous Articles     Next Articles

Parallel Molecular Dynamics Simulation of Crack on Parallel Clusters

LU Hong-quan,ZHANG Jun-qian   

  1. (Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072,China)
  • Received:2007-11-28 Online:2009-04-22 Published:2009-04-21

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Abstract:

By discussing the parallel algorithm of molecular dynamics and describing construction of a parallel simulation cluster, the process of parallel molecular dynamics (PMD) programming and its implementation are studied. Installation and application of Lammps, a code of PMD, on the parallel cluster Ziqiang 3000 are introduced. The crack PMD simulation is checked.

Key words: cluster; parallel； molecular dynamics; crack; simulation

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