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Original Articles

Computer Simulation of Liquid Methanol I. Molecular Dynamics on a Supernode Transputer Array

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Pages 155-169 | Received 01 Oct 1990, Accepted 01 Nov 1990, Published online: 23 Sep 2006
 

Abstract

A parallel Molecular Dynamics program for liquid methanol has been implemented on a supernode containing sixteen T800 Transputers. The long range forces are treated by the Ewald summation method. A very high efficiency has been achieved for system sizes ranging from 125 to 512 molecules by exploiting both the possibilities of these parallel processors and the complexity of the simulated system.

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