It should be noted that the file cveloci.F90 will be in the cmake list, as it is compiled regardless; if the CVELOCI keyword is not specified via -a (--add) on the configure command line (or misspelled), the code produced is a stub routine, that just prints the error message. The keywords are embedded in compiler directives, e.g.

Code
#if KEY_CVELOCI==1 /*cvel_main*/
      :
    main code
      :
#else /*  (cvel_main)*/
    CALL WRNDIE(0,'<CVELOCI>','CVELOCI code not compiled')
#endif /* (cvel_main)*/
    RETURN

Note the KEY_ prefix in the directive; the 'main code' is the bulk of the actual subroutine. The cveloci.mod files produced with and without the feature should exist, but they should be different in size and contents.

Last edited by rmv; 01/31/22 03:45 AM.

Rick Venable
computational chemist