Molecular dynamics of a model polymer on a hypercube parallel computer

Abstract In this paper, we discuss the implementation and solution of molecular dynamics polymer models on the Intel iPSC Hypercube parallel computer. We first describe a model problem whose inherent parallelism can be exploited effectively and which is therefore amenable to parallel solution. We next discuss the salient features of the hypercube programs that were used to solve the model problem. Finally, we present results which demonstrate that the efficiencies of the solutions approach 100% as the number of atoms in the polymer and the number of hypercube processors are increased for the problem in question. The results demonstrate that parallel solutions of polymer problems using a hypercube architecture offer potentially significant savings over sequential solutions.