We supported the porting of an application studying the carbon diffusion in crystalline silicon, using empirical inter-atomic potentials. The software, collects thousands of simulations launched with different parameters. We have focused our efforts to bring the researchers an user-friendly wrapper to the grid infrastructure. This solution gives the researchers an easy-to-use environment in which entering the desired number of simulations and parameters. The front-end makes the work for the user submitting and monitoring the desired jobs into the grid. When the results are available, it notify the user by email with an url for downloading the results. This wrapping achieves two important results: (i) leave more time to investigate deeper the results and (ii) give more flexibility in changing the parameters of the simulations. Already planned Future works, will be devoted to a more extended study of the influence of the different parameters of the empirical inter atomic potential, with the final goal to improve the applicability of the model to simulated kinetic process of defects. In this task, we intend to use the full-fledged MPI environment, exploiting the full power of parallelization and shared memory ion.
|Website and/or External link:||http://www.pi2s2.it/applications/application_details.php?ID=44|
TEAM OF COLLABORATORS
|TERM OF USE PRIVACY STATEMENT|