Nano Science and Technology Institute
Nanotech 2004 Vol. 2
Nanotech 2004 Vol. 2
Technical Proceedings of the 2004 NSTI Nanotechnology Conference and Trade Show, Volume 2
Chapter 8: Computational Methods and Numerics

Parallelization of BEM Electrostatic Solver Using a PC Cluster

Authors:H-K Tang and Y-J Yang
Affilation:National Taiwan University, TW
Pages:482 - 485
Keywords:pre-conditioner, PC cluster, BEM, fast multipole method, parallelization, MPI
Abstract:In this paper, the application of parallel-processing techniques for electrostatic calculation is presented. Evaluating the pre-conditioner used for inverting the system matrix of a boundary-element-method (BEM) electrostatic solver (Fastlap) is one of the most time consuming steps during the whole computation process. Therefore, we apply parallelization techniques to accelerate this step using a PC cluster, with minimum modification on the original source code. The basic idea is to parallelize the inversions of the sub-matrices which are extracted from the original system matrices. Then the inverted sub-matrices will be assembled into the pre-conditioner. The efficiency of the parallelization is also compared between different methods of distributing sub-matrices for inverting. The preliminary results for a testing sphere structure show that the computing time can be effectively reduced using the parallel processing without any compromise in accuracy. The speed-up is close to 4 by using a four-node cluster.
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