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 :)

Restart in parallel w/o MINP/VARS/KEYWD

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6 months 3 weeks ago #1404 by vvp
Hello!

Would it be possible to start MPI parallel calculation on top of previously generated 'fort.55' and 'fort.56' files, but without having neither 'MINP' nor 'KEYWD' files? Just in case, the 'fort.*' files were generated by using PSI4.

Thank you in advance!

With best regards, 
Victor 

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