Running MRCC
Just Got Here
9:33:48 AM PST - Wed, Dec 4th 2013
Hello,

I'm trying to run Multrireference Coupled Cluster jobs with 6.3 NWChem. But when I try to run BE-MRCCSD or Mk-MRCCSD, I get a error message that follows:

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tce_input: unknown directive        0

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There is an error in the input file

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The compilation did include MRCC_METHODS=TRUE

I also get the same message when I run the sample inputs from the MRCC section on the NWChem TCE online documentation.

Thanks

Forum Vet
10:32:45 AM PST - Wed, Dec 4th 2013
Thechuckman
Did you recompile the input directory, too, with MRCC_METHODS=TRUE?

Cheers, Edo


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