Distributed load balancing for molecular dynamics simulations

A Di Serio and MB Ibanez, 16TH ANNUAL INTERNATIONAL SYMPOSIUM ON HIGH PERFORMANCE COMPUTING SYSTEMS AND APPLICATIONS, PROCEEDINGS, 284-289 (2002).

DOI: 10.1109/HPCSA.2002.1019172

We customize a dynamic load balancer to the molecular dynamics problem. The balancer is distributed, it requires no long-distance inter-process communications but only those among adjacent processors. It works accurately achieving significant time improvements when the system maintains moderate imbalance levels. The overhead is a problem only when the system does not achieve a minimum threshold imbalance.

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