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Domain-Based Decomposition Parallel Molecular Dynamics Algorithm on Computer Clusters

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2 Author(s)
Jiu-ling Zhao ; Second Artillery Eng. Inst., Xi''an ; Jiu-fen Zhao

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.

Published in:

Fuzzy Systems and Knowledge Discovery, 2007. FSKD 2007. Fourth International Conference on  (Volume:3 )

Date of Conference:

24-27 Aug. 2007