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GDASH: a grid-enabled program for structure solution from powder diffraction data

By T. A. N. Griffin, Kenneth Shankland, J. V. van de Streek and J. Cole

Abstract

The simulated annealing approach to structure solution from powder diffraction data, as implemented in the DASH program, is easily amenable to parallelization at the individual run level. Very large scale increases in speed of execution can therefore be achieved by distributing individual DASH runs over a network of computers. The GDASH program achieves this by packaging DASH in a form that enables it to run under the Univa UD Grid MP system, which harnesses networks of existing computing resources to perform calculations

Topics: 548
Publisher: Wiley-Blackwell Publishing, Inc
Year: 2009
OAI identifier: oai:centaur.reading.ac.uk:1822

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