INCORE calculations with molcas


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Posted by Evgeniy on November 24, 2008 at 14:01:45:

Dear Developers and Users of Molcas,

I am interested in running Molcas with the least usage of disk, when a massive amount of memory is avalable and the computation is paralliezed (with 100-200 nodes, each node has 16 GB of RAM), in particular for the case of CASSCF/CASPT2 calculations. Is there a possibility to put eveything or almost everything in core? Thanks!

Best wishes,
Evgeniy


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