GDASH: a grid-enabled program for structure solution from powder diffraction data
Griffin, T. A. N., Shankland, K., van de Streek, J. V. and Cole, J. (2009) GDASH: a grid-enabled program for structure solution from powder diffraction data. Journal of Applied Crystallography, 42 (2). pp. 356-359. ISSN 0021-8898
To link to this article DOI: 10.1107/S0021889809006840
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.