ON THE PERFORMANCE OF AN AUTOMATED VERLET NEIGHBOR LIST ALGORITHM FOR LARGE SYSTEMS ON A VECTOR PROCESSOR

An automated version of the Verlet neighbor list algorithm in which the optimum neighbor list radius (SKIN) increases with the system size (N) shows an almost linear CPU time versus N dependence over the range 10(2) < N < 10(4). The algorithm's speed is comparable to that of a Link-Cell code (Grest et al., 1989), and much higher than that achieved by using "recommended" values for the neighbor list radius and update frequency, especially for large systems.