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

More
1 year 1 month ago #1404 by vvp
Restart in parallel w/o MINP/VARS/KEYWD was created 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 

Please Log in or Create an account to join the conversation.

Time to create page: 0.037 seconds
Powered by Kunena Forum

MRCC Login