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New Gaussian 09 recommendations

by Espen Tangen last modified Jan 19, 2012 08:29 AM expired

New guidelines for running Gaussian 09 on Stallo, please look at application support for info!

New guidelines for running Gaussian 09 on Stallo. Thorough test of frequency analysis has shown acceptable scaling up to 16 nodes, and good scaling up to 12 nodes for the latest revision and up to 8 nodes with the default version. For details, see:  http://docs.notur.no/application-support/chemistry-applications/gaussian-1/gaussian-09.

Mark: This is only valid for Linda-parallel procedures in Gaussian. For SMP-parallel procedures, you should still limit yourself to 1 node, but should use the whole node unless memory requirements exceeds availability.

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