Porting of reduced quantum reactive scattering codes on a Meiko Computing Surface

The aim of this paper is to investigate the restructuring of a typical computing intensive application on a massively parallel architecture. A reduced dimensionality application to the calculation of reactive properties of atom-diatom systems has been restructured to run on the Meiko Computing Surface. By using the execution times analysis of the application made on IBM 3090-VF mod.18E we have reorganized the application according to a master-slave model. This paper presents the Meiko Computing Surface architecture, the parallel programming tool CSTools and the analysis of the restructure steps made to get the parallel version. Finally, the performance of the parallel code is discussed.