Computational chemistry on Fujitsu vector–parallel processors: Hardware and programming environment

Author:

Nobes Ross H,Rendell Alistair P,Nieplocha Jarek

Publisher

Elsevier BV

Subject

Artificial Intelligence,Computer Graphics and Computer-Aided Design,Computer Networks and Communications,Hardware and Architecture,Theoretical Computer Science,Software

Reference18 articles.

1. For a description of NWChem, see http://www.emsl.pnl.gov:2080/docs/nwchem/

2. The CASTEP program is developed and distributed by Molecular Simulations, Inc

3. R.A. Kendall, R.J. Harrison, R.J. Littlefield, M.F. Guest, High performance computing in computational chemistry: Methods and machines, In: K.B. Lipkowitz, D.B. Boyd, (Eds.), Reviews in Computational Chemistry, vol. 6, VCH Publishers, New York, 1995, pp. 209–316

4. Hardware of VX/VPP300/VPP700 series of vector–parallel supercomputer systems;Uchida;Fujitsu Sci. Tech. J.,1997

5. Operating system of the VX/VPP300/VPP700 series of vector–parallel supercomputer systems;Koeda;Fujitsu Sci. Tech. J.,1997

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