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 :)

How to specify several reference configurations for MRCI on HF orbitals

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1 year 9 months ago #1328 by EvGen
Dear Mihaly,

Many thanks! It is consistent now! :)

Best,
Evgeniy

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