MULTI-MILLION PARTICLE MOLECULAR DYNAMICS ON THE CM-5

P. S. Lomdahl, D. M. Beazley, P. Tamayo and N. Grønbech-Jensen
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P. S. Lomdahl: Theoretical Division and Advanced Computing Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
D. M. Beazley: Theoretical Division and Advanced Computing Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
P. Tamayo: Theoretical Division and Advanced Computing Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
N. Grønbech-Jensen: Theoretical Division and Advanced Computing Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545, USA

International Journal of Modern Physics C (IJMPC), 1993, vol. 04, issue 06, 1075-1084

Abstract: We outline a recently developed short-range molecular dynamics (MD) algorithm for message-passing MIMD computers. Timings and performance numbers are presented for a code, SPaSM, which implements the algorithm on the Connection Machine-5 (CM-5). We demonstrate that runs with more than108particles are now possible on massively parallel MIMD computers. The speed of the code scales linearly with the number of processors and with the number of particles and shows 95% parallel efficiency in the speedup. Recent results from 2D simulations of fracture dynamics are also presented

Date: 1993
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DOI: 10.1142/S0129183193000835

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