Data-Parallel Molecular Dynamics with Neighbor-Lists

. We report on a data-parallel classical molecular dynamicsalgorithm and its implementation on Connection Machines CM-5 andCM-200 using CM-Fortran, a Fortran-90 dialect. A grid-based spatialdecomposition of the atomic system is used for parallelization. Our previousalgorithm on the CM's calculated all forces in the nearby region. Adifferent algorithm using classical Verlet neighbor lists is more efficient,when implemented on the CM-5 with its indirect addressing hardware.The code...