A block sparse approximate inverse with cutoff preconditioner for semi-sparse linear systems derived from Molecular Orbital calculations

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概要

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• We present an approach to preconditioning for large, relatively dense linear systems and verify the validity of our method. We restrict the target of our method to Molecular Orbital (MO) calculations. Sparse Approximate Inverse (SAI) is typically less effective at accelerating the convergence and requires a huge computational cost in its construction when a large number of nonzero entries are kept in the approximate inverse matrix. We explain a construction of Block SAI and a cutoff strategy to reduce the number of nonzero elements, and investigate the efficiency of a cutoff strategy and Block SAI.

• The Japan Society for Industrial and Applied Mathematicsの論文

著者

• Tadano Hiroto

  Graduate School of Systems and Information Engineering, University of Tsukuba

• Sakurai Tetsuya

  Graduate School of Systems and Information Engineering, University of Tsukuba

• Yamazaki Ikuro

  Graduate School of Systems and Information Engineering, University of Tsukuba

• Okada Masayuki

  Hitachi, Ltd., Software Division

• Teranishi Keita

  Cray, Inc.

関連論文

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• A block sparse approximate inverse with cutoff preconditioner for semi-sparse linear systems derived from Molecular Orbital calculations
• A convergence improvement of the BSAIC preconditioner by deflation

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