Abstract
We have demonstrated using vectorized parallel Lennard-Jones fluid program that vectorizing general-purpose parallel molecular package for simulating biomolecules which currently runs on the Connection Machine CM-5 using CMMD message passing would offer a significant improvement over a non-vectorized version. Our results indicate that the Lennard-Jones fluid program written in C*/CMMD is five times faster than the same program written in C/CMMD.
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