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A Highly Parallel Computer for Molecular Dynamics Simulations

Published online by Cambridge University Press:  25 February 2011

D. J. Auerbach ,
A. F. Bakker ,
T. C. Chen ,
A. A. Munshi  and
W. J. Paul
D. J. Auerbach
Affiliation:
IBM Almaden Research Center, San Jose, California 95120 6099
A. F. Bakker
Affiliation:
IBM Almaden Research Center, San Jose, California 95120 6099
T. C. Chen
Affiliation:
IBM Almaden Research Center, San Jose, California 95120 6099
A. A. Munshi
Affiliation:
IBM Almaden Research Center, San Jose, California 95120 6099
W. J. Paul
Affiliation:
IBM Almaden Research Center, San Jose, California 95120 6099
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Abstract

We are constructing a highly parallel computer array well suited to the requirements of molecular dynamics simulations of the behavior of large systems of interacting particles. A tightly coupled message passing structure is used based on a specially designed processor with 12 MFLOPS peak performance. High speed synchronous communication over a full permutation network and hardware support for operations important in molecular dynamics codes are also provided. An analysis of this configuration indicates that efficient use can be made of 1000 processors working simultaneously.

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References

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