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 2024.1 with MRCC 2023 Aug 28

  • jsimmie
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8 months 4 days ago #1446 by jsimmie
MOLPRO 2024.1 with MRCC 2023 Aug 28 was created by jsimmie
MRCC tells me to see MOLPRO for installation but MOLPRO points me back at MRCC ... so I'm confused!
Both appear to be running, see MeO.txt, but not in harness, what am I missing?
Previous MOLPRO-MRCC incarnations worked beuatifully but we have been moved to a new system so installation has reared its ugly head ...

module use /project/home/p200357/modules                                        
module load molpro-2024.1.0             
module load mrcc-2023

John Simmie//University of Galway//Ireland
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  • kallay
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8 months 4 days ago #1447 by kallay
Replied by kallay on topic MOLPRO 2024.1 with MRCC 2023 Aug 28
Dear John,
Please download the patches for MRCC. Then it should work.
Best regards,
Mihaly Kallay

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