L.V. Kalé, Milind Bhandarkar, Robert Brunner  Home/Search
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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,... (Update)
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BibTeX entry: (Update)
@misc{ kal-load,
author = "L.V. Kalé and Milind Bhandarkar and Robert Brunner",
title = "Load Balancing in Parallel Molecular Dynamics",
url = "citeseer.ist.psu.edu/247000.html" }
Citations (may not include all citations):120 CHARMM: A program for macromolecular energy (context) - Brooks, Bruccoleri et al. - 1983
83 A portable concurrent object oriented system based on C (context) - Kale, Krishnan - 1993
29 Parallelizing molecular dynamics using spatial decomposition - Clark, Hanxleden et al. - 1993
17 object-oriented molecular dynamics program (context) - Nelson, Humphrey et al. - 1996
14 Converse: An Interoperable Framework for Parallel Programmin.. - Kal'e, Bhandarkar et al. - 1996
14 AMBER: Assisted model building with energy refinement (context) - Weiner, Kollman - 1981
13 A portable distributed implementation of the parallel multip.. (context) - Rankin, Board - 1995
10 Molecular dynamics simulation on a parallel computer (context) - Heller, GrubMuller et al. - 1990
7 ray Crystallography and NMR (context) - Brunger, for - 1992
4 A case study in multilingual parallel programming (context) - Kal'e, Bhandarkar et al. - 1997
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