On the optimization of a task-farm model for the parallel integration of a two-dimensional Schrodinger equation

Abstract

As a case study of computational problems difficult to parallelize we discuss the parallelization of a quantum reactive scattering application integrating a two dimensional Schrodinger equation. From a detailed analysis of the computational procedure, sources for inefficiency causing a performance degradation when running the application on a MIMD-DM machine were singled out and the parallel model was structured accordingly. The suitability of the model adopted was checked by running some test calculations.