We discuss the vectorization of a classical mechanical trajectory code which simulated the interaction of a rotationally excited rigid rotator with a colliding atom. This code was optimized in FORTRAN 77 and can be run on either a VAX 11/780 minicomputer or a CRAY-1 vector pipeline supercomputer. The article presents a global strategy for vectorizing a classical mechanical trajectory code, a set of performance criteria for characterizing the vectorization of a computer code, and an analysis of the four major subroutines of the vectorized trajectory code in terms of this strategy and these criteria.
- Simulation of rotationally inelastic collisions
- implementation features
- timing results