Parallel Processing of Analytical Poisson-Boltzmann using Higher Order FEM

Maharavo Randrianarivony


Mesh, Poisson-Boltzmann, Parallel, Biomolecular


We focus on the efficient parallel processing of meshes from 
biomolecular data so that they can be subsequently used for 
FEM simulation. All mesh processing about refinements and 
coherent indexations are applied in parallel. The simplices 
of the mesh are needed for the application in FEM having 
higher polynomial degrees. For biomolecular data, the only 
inputs are the atom coordinates, the van der Waals radii and 
the probe radius. Our principal goal is to obtain data which are 
well balanced among the different processors. To corroborate the
parallel mesh processing, we show some application to FEM
simulation. For that, we consider the parallel FEM of the 
linearized Poisson-Boltzmann problem. We compare the FEM numerical
results with known theoretical prediction to validate the accuracy
of the parallel implementation.

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