论文信息 - Parallelizing Molecular Dynamics Codes using the Parti Software Primitives

Parallelizing Molecular Dynamics Codes using the Parti Software Primitives

This paper is concerned with the implementation of the molecular dynamics code, CHARMM, on massively parallel distributed-memory computer architectures using a data-parallel approach. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code. Large practical MD problems is solved on the Intel iPSC/860 hypercube. The overall solution efficiency is compared with that obtained when implementation is done using data-replication.

Joel H. Saltz | Raja Das

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