Article ID: 1403 - Last Modified: April 19, 2011
Can QSite be run in parallel, (e.g., on a cluster)?
QSite jobs run the impact and jaguar computational programs for molecular mechanics (MM) and quantum mechanics (QM) calculations, respectively. The impact executable does not run in parallel, but jaguar does. The QM calculations are much more time-consuming than the MM calculations, and they can take advantage of the parallelization capabilities of Jaguar. Multiprocessor QSite jobs can be started directly from Maestro.
For instructions on configuring your Schrödinger installation for remote and queue submission, see the Installation Guide.
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