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 :)

missing KEYWD input file for DIRAC-MRCC interface

  • miro_ilias
  • Topic Author
  • Offline
  • New Member
  • New Member
More
1 day 19 hours ago - 22 hours 55 minutes ago #1583 by miro_ilias
missing KEYWD input file for DIRAC-MRCC interface was created by miro_ilias
Hello,

I am trying to revive DIRAC-MRCC cooperation with fresh DIRAC & MRCC codes, see  gitlab.com/dirac/dirac/-/issues/154 .

The MINP input file is produced by MRCC's 'dirac_mointegral_export'. But how to create the missing KEYWD file ? There is nothing about KEYWD file in the MRCC documentation..
 
Last edit: 22 hours 55 minutes ago by miro_ilias. Reason: precising

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

Time to create page: 0.038 seconds
Powered by Kunena Forum

MRCC Login