| W. Smith: `Molecular Dynamics on Hypercubic Parallel Computers ', Comput. Phys. Commun. 62 (1991) 229. |
....1 Introduction Within many scientific and engineering applications one is faced with the intermediate computation of bilocal objects, f(x i ; x j ) on a given set of numbers x i , i = 1; n. Think for example of the exact treatment of 2 body forces in n body molecular dynamics [1] as employed in astrophysics or thermodynamics of instable systems, convolutions in signal processing [2] autocorrelations in statistically generated time series [3] n point polymer chains with long range interactions, proteinfolding [4] or fully coupled chaotic maps [5, 6] In the case of ....
....interprocessor communication. Any progress in reducing the ensuing communication overhead is therefore welcome 1 . Various methods have been devised in the past to exactly solve the computational problem; we mention two generic parallel approaches 2 : ffl The replicated data method [1] deals with n identical copies 3 of the entire array x that are to be placed within each processor in advance. On these arrays, the computation is performed such that each processor i calculates the elements f(x i ; x j ) for j = 1 In molecular dynamics applications with long range forces, e. ....
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W. Smith: `Molecular Dynamics on Hypercubic Parallel Computers ', Comput. Phys. Commun. 62 (1991) 229.
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