AN ADAPTATION OF THE LOG-DERIVATIVE METHOD TO MASSIVELY-PARALLEL COMPUTERS

We present a strategy for parallelization of the log-derivative quantu m dynamics method suitable for smaller basis set calculations where ma ny different energies must be examined. Parallelization of work specif ic to both the scattering coordinate grid and the energy grid is accom plished but all matrix manipulations are carried out on single process ors. We execute this strategy for a realistic triatomic scattering pro blem on three parallel computers: one modestly parallel, shared-memory computer and two massively parallel, distributed-memory computers. Re sults show successful parallelization on the two massively parallel co mputers.