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2006 International Conference on Parallel Processing (ICPP'06)
Salsa: Scalable Asynchronous Replica Exchange for Parallel Molecular Dynamics Applications
Columbus, Ohio
August 14-August 18
ISBN: 0-7695-2636-5
Li Zhang, Rutgers University, USA
Manish Parashar, Rutgers University, USA
Emilio Gallicchio, Rutgers University, USA
Ronald M. Levy, Rutgers University, USA
This paper presents Salsa, a novel, decentralized and asynchronous realization of the "replica exchange" algorithm for simulating the structure, function, folding, and dynamics of proteins. Salsa provides a scalable communication and interaction substrate that presents a virtual shared space abstraction and enables the dynamic and asynchronous interactions required by the simulations to be simply and efficiently implemented. The design, implementation and experimental evaluation of Salsa and replica exchange-based simulations using Salsa are presented.
Citation:
Li Zhang, Manish Parashar, Emilio Gallicchio, Ronald M. Levy, "Salsa: Scalable Asynchronous Replica Exchange for Parallel Molecular Dynamics Applications," icpp, pp.127-134, 2006 International Conference on Parallel Processing (ICPP'06), 2006
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