CASPT2 crash, rc=174?


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Posted by Lukas F. Pasteka on August 02, 2010 at 13:40:17:

Hello,

I'm trying to compute some excited states via CASPT2 method. Most of the states work fine but one gives this strange error right after the properties and expectation values section:

GRDCTL ISTATE,JSTATE, VALUE: 1 1 -192.50509297
--- Stop Module: caspt2 at Thu Jun 3 09:22:02 2010 /rc=174 (Unknown) ---
Non-zero return code - check program input/output

I couldn't find what does this return code 174 mean, there is no mentioning of this occurrence whatsoever in manual or bulletin board.

I don't see why after successfully computing the energy and properties should it crash when everything is done. I don't even know what this GRDCTL section is, it always just prints again the CASPT2 energy.

Can someone please give me a hint?

Thank you very much


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