๐”– Bobbio Scriptorium
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An optimized mass storage FFT for vector computers

โœ Scribed by L. Nicastro; N. D'Amico


Book ID
107919342
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
731 KB
Volume
21
Category
Article
ISSN
0167-8191

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An optimized MD program for the vector c
โœ Stefan Brode; Reinhart Ahlrichs ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 661 KB

The potential of supercomputers for MD simulation runs is explored for the CYBER 205 vectorcomputer in the treatment of molecular liquids with site-site interaction potentials. Careful vectorization and optimization of remaining scalar codes is shown to reduce the CPU time to 7% as compared to the o