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HPCx Workshop on Ab-initio Plane-wave Materials Science Codes in HPC

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10:00 - 16:30, Tuesday 3rd October 2006
e-Science Institute, 15 College Street, Edinburgh

A mixture of presentations, Q/A and general discussion plus a practical session on the current and future state and practice of high performance computational ab-initio materials science codes based on plane-wave expansions (science, serial and parallel performance, optimization and modernization). Speakers include expert users and developers of specific codes and HPCx staff. Plane-wave codes (for example CASTEP, VASP and CPMD) are at the cutting edge of computational materials science and represent a substantial fraction of the use of HPCx, the UK national academic high performance resource. The event is a companion/satellite to the HPCx Annual Seminar to be held at eSI on 4th October 2006 (http://www.hpcx.ac.uk/about/events/annual2006/ ). The workshop will be of interest to users of plane-wave codes on HPCx and other large platforms. Please register for the workshop at http://www.nesc.ac.uk/esi/events/711/ .

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