Parallel performance of CIRR method with complete factorization preconditioner on multi-core
نویسندگان
چکیده
We consider a parallel method for solving generalized eigenvalue problems that arise from molecular orbital calculation of the biochemistry application. Our focus is to develop scalable parallel implementations of the method that achieves high performance on multi-core clusters. In a Rayleigh-Ritz type method using a contour integral (CIRR method), the computation at each contour involves linear system solutions. We apply a Krylov subspace iterative method with a complete factorization preconditioner. We report parallel performance of our method on multi-core processors.
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