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A Beowulf Cluster for Computational Chemistry
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A Beowulf Cluster for Computational Chemistry
K. A. Hawick7, D. A. Grove7, P. D. Coddington7, H. A. James7 and M. A. Buntine8
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Department of Computer Science, University of Adelaide, SA, 5005, Australia |
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Department of Chemistry, University of Adelaide, SA, 5005, Australia |
Abstract
We have constructed a Beowulf cluster of networked PCs that is dedicated to solving chemistry problems using standard software
packages such as Gaussian and GAMESS. We describe the economic and performance trade-offs in the design of the cluster, and
present some some selected benchmark results for a parallel version of GAMESS. We believe that the Beowulf we have constructed
offers the best price/performance ratio for our chemistry applications, and that commodity clusters can now provide dedicated
supercomputer performance within the budget of most university departments.
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