Is molcas72 compilable under new ga-4-1?


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Posted by Evgeniy on December 01, 2008 at 18:56:52:

Dear Developers and Users of Molcas72,

I am wondering if someone has successfully compiled molcas72 in a parallel mode under new ga-4-1, especially for InfiniBand and using intel 10.1? In my case everything is compiled OK but either does not work at all or works not correctly, in particular my CASSCF calculation diverges while the same input runs OK on other PC in serial. Thanks!

Best,
Evgeniy


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