This project analyses the current state of the parallelization of the scientific code Octopus. Octopus is a complex application that calculates atomic properties of the matter. More specifically, we have applied Octopus to simulate the absorption of the light in different splits of the chlorophyll molecule with different number of atoms. We have analysed the scalability of the parallel version of Octopus, varying the number of processors and the size of the atomic systems under analysis. For this study, we have used the most advanced supercomputers in Europe: Jugene and MareNostrum. This...
This project analyses the current state of the parallelization of the scientific code Octopus. Octopus is a complex application that calculates atomic...