Data-parallel molecular dynamics: 1-D hard-core fluid

Abstract

Molecular dynamics constitute a family of techniques for solving large classical N-body problems under a variety of physical conditions. Modern massively parallel machines allow us to approach the simulation of matter at the atomistic level, thus enlarging the scope of computer modeling. Hard-core impulsive evolutions are intrinsically asynchronous and do not parallelize easily on multicomputers or vector machines. Using the 1-D hard-core fluid as a paradigm, a data-parallel molecular dynamics algorithm with at least 16384 particles has been implemented on a Connection Machine CM-2.