Abstract
We describe the implementation of the cell multipole method CMM in a . . complete molecular dynamics MD simulation program MPSim for massively parallel supercomputers. Tests are made of how the program scales with size . . linearly and with number of CPUs nearly linearly in applications involving up to 10 7 particles and up to 500 CPUs. Applications include estimating the surface tension of Ar and calculating the structure of rhinovirus 14 without requiring icosahedral symmetry. Q 1997 by John Wiley & Sons, Inc.
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