D. Fincham, Molecular Simulation 1, 1 (1987). Home/Search Document Not in Database Summary Related Articles Check |
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Computational Limits of Classical Molecular Dynamics.. - Steve Plimpton Parallel (Correct)
....can scale is as N=P . MD algorithms for parallel computers take advantage of the fact that the forces on different atoms and their subsequent motion can be computed independently and simultaneously by different processors. Various algorithms have been designed to exploit this natural parallelism [2, 3, 4, 5, 6]. The most widely used is known as spatial decomposition. In this method the physical simulation domain (i.e. the volume) is split into sub domains, one per processor. Each processor computes forces on only the atoms in its sub domain and atoms migrate to new processors as they move from one ....
D. Fincham, Molecular Simulation 1, 1 (1987).
A Domain Decomposition Parallel Processing Algorithm for.. - Brown, Minoux, Maigret (1997) (9 citations) (Correct)
....level. The prospects offered by parallel computers have inevitably led to much interest in applying them to the area of molecular dynamics simulations and there is now quite a history in the subject. Initial attempts were largely limited to atomic systems and to highly specific problems, e.g. [4 8]. During this time, a number of strategies were proposed for mapping MD onto multiple instruction multiple data (MIMD) machines based on either particle decomposition, assigning particles to home processors using their indices, or domain decomposition, assigning particles to processors according ....
.... of strategies were proposed for mapping MD onto multiple instruction multiple data (MIMD) machines based on either particle decomposition, assigning particles to home processors using their indices, or domain decomposition, assigning particles to processors according to their position in space [4, 5, 213 ]. Although there have been more recent developments involving force decomposition [14, 15] and attempts to combine strategies [16] the problem has remained that the best parallel solution for a particular simulation depends on factors like the average number of particles per processor and the ....
D. Fincham, Molecular Simulation 1 (1987) 1-45.
DL POLY: A Macromolecular Simulation Package - Smith Daresbury Self-citation (Fincham) (Correct)
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D. Fincham and P.J. Mitchell, Molecular Simulation (1991) 7 135.
DL POLY: A Macromolecular Simulation Package - Smith Daresbury Self-citation (Fincham) (Correct)
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D. Fincham, Molecular Simulation (1987) 1 1.
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