Parallel Processing of Analytical Poisson-boltzmann Using Higher Order Fem

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 PoissonBoltzmann problem. We compare the FEM numerical results with known theoretical prediction to validate the accuracy of the parallel implementation.