Multi-million particle molecular dynamics. III. Design considerations for data-parallel processing

D. C. Rapaport

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


This paper describes an implementation of a parallel molecular dynamics algorithm on the CM2 Connection Machine that is designed for large-scale simulations. The method employs a cell subdivision of the simulation region, and is partly based on the layer approach developed for vector processing. All communication is between adjacent processing elements, eliminating the need for global communication. Performance measurements were made with systems containing over 106 particles.

Original languageEnglish
Pages (from-to)301-317
Number of pages17
JournalComputer Physics Communications
Issue number3
StatePublished - Aug 1993

Bibliographical note

Funding Information:
The author would like to thank the Supercomputer Computations Research Institute at Florida State University for its hospitality while this study was being carried out. The work was supported in part by the US Department of Energy through contract no. DE-FCO5-85ER250000. Hagai Meirovitch and Paul Oppenheimer are thanked for helpful discussion.


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