× 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 :)

Generating initial guess for the SCF calculation..

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6 months 1 week ago #662 by tcclab
Dear Peter,

Your message 'scf > out 2> errorfile ' reminds me to check the scf program.
Yes, there is another program named scf in {PATH}.
Now, we fix the problem.

Thank you very much and have a nice weekend!

Jilai

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6 months 1 week ago #663 by nagypeter
Dear Jilai,

That is great, thank you for letting us know.
I hope you will be able to use our program successfully from now.

All the best,
Peter

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