× If you have problems during the execution of MRCC, please attach the output with an adequate description of your case as well as the followings:
  • the way mrcc was invoked
  • the way build.mrcc was invoked
  • the output of build.mrcc
  • compiler version (for example: ifort -V, gfortran -v)
  • blas/lapack versions
  • as well as gcc and glibc versions

This information really helps us during troubleshooting :)

Molpro loads MRCC, but doesn't save energies

5 months 2 weeks ago - 5 months 2 weeks ago #1263 by leonid
Dear Colleagues, I was trying to run the test job from the Molpro site h2o_mrcc_eom. Somehow it loads the MRCC module, but then doesn't save the energies (see the end of the file in the attachment). Can it be somehow fixed?  


File Attachment:

File Name: h2o_mrcc_eom.txt
File Size:79 KB
Last edit: 5 months 2 weeks ago by leonid.

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