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Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter--atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently --- those with short--range forces where the neighbors of each atom change rapidly. They can be implemented on any... (Update)
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BibTeX entry: (Update)
S. Plimpton, "Fast Parallel Algorithms for Short-Range Molecular Dynamics", Sandia Report, SAND91-1144 (1993). http://citeseer.ist.psu.edu/plimpton95fast.html More
@misc{ plimpton93fast,
author = "S. Plimpton",
title = "Fast Parallel Algorithms for Short-Range Molecular Dynamics",
text = "S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics,
Sandia Report, SAND91-1144 (1993).",
year = "1993",
url = "citeseer.ist.psu.edu/plimpton95fast.html" }
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Documents on the same site (http://www.cs.sandia.gov/~sjplimp/):
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