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Abstract: . We discuss the computational difficulties associated with performing large-scale molecular dynamics simulations involving more than 100 million atoms on modern massively parallel supercomputers. We discuss various performance and memory optimization strategies along with the method we have used to write a highly portable parallel application. Finally, we discuss some recent work addressing the problems associated with analyzing and visualizing the data generated from multi-million particle MD ... (Update)
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BibTeX entry: (Update)
@inproceedings{ lomdahl95multimillion,
author = "Peter S. Lomdahl and David M. Beazley",
title = "Multi-Million Particle Molecular Dynamics on {MPPs}",
booktitle = "{PARA}",
pages = "391-407",
year = "1995",
url = "citeseer.ist.psu.edu/105152.html" }
Citations (may not include all citations):57 Fast Parallel Algorithms for Short-Range Molecular Dynamics - Plimpton - 1993
12 Parallel Algorithms for Short-range Molecular Dynamics (context) - Beazley, Lomdahl et al. - 1995
10 IEEE Computer Society (context) - Lomdahl, Tamayo et al. - 1993
10 IEEE Computer Society (context) - Tamayo, Mesirov et al. - 1991
3 Multimillion Particle Molecular Dynamics on the CM (context) - Lomdahl, Beazley et al. - 1993
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