Load Balancing in Parallel Molecular Dynamics
International Symposium on Solving Irregularly Structured Problems in Parallel 1998
Publication Type: Paper
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Abstract
Implementing a parallel molecular dynamics as a parallel
application presents some unique load balancing challenges.
Non-uniform distribution of atoms in space, along with the need to
avoid symmetric redundant computations, produces a highly irregular
computational load. Scalability and efficiency considerations
produce further irregularity. Also, as the simulation evolves, the
movement of atoms causes changes in the load distributions. This
paper describes the use of an object-based, measurement-based load
balancing strategy for a parallel molecular dynamics application,
and its impact on performance.
TextRef
L. V. Kale and Milind Bhandarkar and Robert Brunner, "Load Balancing in
Parallel Molecular Dynamics", Fifth International Symposium on Solving
Irregularly Structured Problems in Parallel, Lecture Notes in Computer Science,
vol. 1457, 1998, pp. 251--261.
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