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Acceleration of the GAMESS-UK electronic structure package on graphical processing units

  1. Karl A. Wilkinson1,
  2. Paul Sherwood2,
  3. Martyn F. Guest3,
  4. Kevin J. Naidoo1,*

Article first published online: 3 MAY 2011

DOI: 10.1002/jcc.21815

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 32, Issue 10, pages 2313–2318, 30 July 2011

Additional Information

How to Cite

Wilkinson, K. A., Sherwood, P., Guest, M. F. and Naidoo, K. J. (2011), Acceleration of the GAMESS-UK electronic structure package on graphical processing units. J. Comput. Chem., 32: 2313–2318. doi: 10.1002/jcc.21815

Author Information

  1. 1

    Scientific Computing Research Unit, and Department of Chemistry, University of Cape Town, Rondebosch, 7701, Cape Town, South Africa

  2. 2

    STFC Daresbury Laboratory, Warrington, WA4 4AD, United Kingdom

  3. 3

    ARCCA, Cardiff University, Redwood Building, King Edward VII Avenue, Cardiff, CF10 3NB, United Kingdom

*Scientific Computing Research Unit, and Department of Chemistry, University of Cape Town, Rondebosch, 7701, Cape Town, South Africa

Publication History

  1. Issue published online: 19 MAY 2011
  2. Article first published online: 3 MAY 2011
  3. Manuscript Accepted: 20 MAR 2011
  4. Manuscript Revised: 6 MAR 2011
  5. Manuscript Received: 14 DEC 2010

Funded by

  • South African Research Chairs Initiative (SARChI); National Research Foundation

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