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Abstract: We present a new scalable algorithm for short-range molecular dynamics simulations on distributed memory MIMD multicomputer based on a message-passing multi-cell approach. We have implemented the algorithm on the Connection Machine 5 (CM-5) and demonstrate that meso-scale molecular dynamics with more than 10 8 particles is now possible on massively parallel MIMD computers. Typical runs show single particle update-times of 0:15¯s in 2 dimensions (2D) and approximately 1¯s in 3 dimensions (3D) on ... (Update)
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...force algorithms, etc. and large scale parallel computers, it became possible to study larger systems beyond 10 particles [9, 80, 99]. Thus, with such problem For molecules, the de Broglie wavelength is already very small for very low temperatures; e.g. for a Ca 40...
...difficult to write and extend. It is used in ddgmq [3] SIGMA, NAMD2 [8] PMD [19] EulerGromos [4] and it is evaluated in references [1, 9]. 3.1 Work Distribution and Data Transfer Work distribution is performed by the master, through a short message (workcommand) Slaves...
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BibTeX entry: (Update)
D.M.Beazley and P.S. Lomdahl, "Message Passing Multi-Cell Molecular Dynamics on the Connection Machine 5," Parallel Computing 20 (1994), p. 173195. http://citeseer.ist.psu.edu/beazley93messagepassing.html More
@article{ beazley94messagepassing,
author = "D. M. Beazley and P. S. Lomdahl",
title = "Message-passing multi-cell molecular dynamics on the {Connection Machine 5}",
journal = "Parallel Computing",
volume = "20",
number = "2",
pages = "173--195",
year = "1994",
url = "citeseer.ist.psu.edu/beazley93messagepassing.html" }
Citations (may not include all citations):10 IEEE Computer Society (context) - Giles, Tamayo et al. - 1992 ACM
10 IEEE Computer Society (context) - Tamayo, Mesirov et al. - 1991 ACM
5 and private communications (context) - Holian, Rev - 1991
3 Clarendon Press (context) - of, Allen et al. - 1987
3 Computers in Physics (context) - Mel'cuk, Giles et al. - 1991
3 IEEE Computer Society (context) - Plimpton, Heffelfinger et al. - 1992 ACM
2 Ciccotti and W (context) - Simulations, Systems - 1986
The graph only includes citing articles where the year of publication is known.
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