Molecular dynamics for very large system
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Lim, Kian-Tat; Brunett, Sharon; Iotov, Mihail; McClurg, Richard B.; Vaidehi, Nag
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Article
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1997
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John Wiley and Sons
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English
⚖ 377 KB
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We describe the implementation of the cell multipole method CMM in a Ž . Ž . complete molecular dynamics MD simulation program MPSim for massively parallel supercomputers. Tests are made of how the program scales with size Ž . Ž . linearly and with number of CPUs nearly linearly in applications invo