NAMD: Biomolecular Simulation on Thousands of Processors
Scaling to New Heights Workshop at Pittsburgh Supercomputing Center 2002
Publication Type: Paper
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Abstract
NAMD is a parallel, object-oriented molecular dynamics program
designed for high performance simulation of large biomolecular
systems. NAMD employs the prioritized message-driven execution
capabilities of the Charm++/Converse parallel runtime system,
allowing excellent parallel scaling on both massively parallel
supercomputers and commodity workstation clusters. This paper
discusses the techniques which have allowed NAMD to effectively
employ over one thousand processors in production simulations of
biomedical relevance.
TextRef
James Phillips and Gengbin Zheng and Laxmikant V. Kale,
"NAMD: Biomolecular Simulation on Thousands of Processors",
Workshop: Scaling to New Heights, Pittsburgh, PA, May 2002.
People
- James Phillips
- Gengbin Zheng
- Laxmikant Kale
Research Areas