Accelerating the complex Hessenberg QR algorithm with the CSX600 floating-point coprocessor

Authors:
Yusaku Yamamoto;Takafumi Miyata;Yoshimasa Nakamura
Affiliations:
Nagoya University, Nagoya, Japan;Nagoya University, Nagoya, Japan;Kyoto University / JST SORST, Kyoto, Japan
Venue:
PDCS '07 Proceedings of the 19th IASTED International Conference on Parallel and Distributed Computing and Systems
Year:
2007

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Abstract

This paper introduces evaluations and communication framework for molecular orbital calculations. The total execution time of molecular orbital calculations is almost construction time of Fock matrix. In order to reduce the total execution time on the ...