Name:SicGrowD
Description:Silicon Crystalling Growing Diffusion
Abstract:We supported the porting of an application studying the carbon diffusion in
crystalline silicon, using empirical interatomic potentials. The already written researchers\’
code, collects thousands of simulations launched with different parameters. We\’ve 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 frontend 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 simulations\’ parameters. 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.
<BR><BR><B>Software requirements</B>: VASP, MPI-1/MPI-2^
Created:2010-05-01
Last updated:2010-05-01
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