Re: GUGA - known bug?

Posted by pawel wielgus on December 21, 2005 at 18:02:49:

In Reply to: GUGA - known bug? posted by pawel wielgus on December 21, 2005 at 12:19:43:

I just want to point out that I already received some clues for that problem in my previous post...

Best regards,

Pawel Wielgus

: Dear MOLCAS Users,

: a few posts ago (GUGA Errors) I reported some problems with GUGA/MRCI calculations. There is a post from 2000 which looks very similar:
: /molcas/wwwboard/messages/messages.1/51.html

: In my case GUGA crashes also only for bigger active space. There is an answer by R.Lindh, but when I went through the code I was not sure what to do.

: Can I ask you for some more details? How to solve this problem?

: Best regards,

: Pawel Wielgus
: Chemistry Department, Wroclaw University of Technology
: POLAND

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: I just want to point out that I already received some clues for that problem in my previous post... : Best regards, : Pawel Wielgus : : : Dear MOLCAS Users, : : a few posts ago (GUGA Errors) I reported some problems with GUGA/MRCI calculations. There is a post from 2000 which looks very similar: : : /molcas/wwwboard/messages/messages.1/51.html : : In my case GUGA crashes also only for bigger active space. There is an answer by R.Lindh, but when I went through the code I was not sure what to do. : : Can I ask you for some more details? How to solve this problem? : : Best regards, : : Pawel Wielgus : : Chemistry Department, Wroclaw University of Technology : : POLAND

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