Re: MOLCAS GUI

Posted by A T on July 18, 2002 at 12:11:53:

In Reply to: Re: MOLCAS GUI posted by Valera Veryazov on July 18, 2002 at 11:59:19:

:
: : CRITICAL ERROR:
: : File findsym.exe not exist
: The proper location of file findsym.exe is $MOLCAS/src/mipi/bin/findsym.exe,
: and it should build during MOLCAS installation.

: : I am using MOLCAS5.2, and there is no such file in it at all. I am just wondering if the MOLCAS GUI is up to date or not? Or it is problem due to the version of my Cerius2? I'm using version release 4.6.
: I never testes MOLCAS GUI under Cerius 4.6 (only 4.5), but I don't think that it might be
: a problem.

:
: : Despite that, it appears to be working fine for setting up the input for coordinates, and keywords, but when I tried to set the basis, Cerius2 just crashed, due to a bus error.

: Please, send me (by e-mail) all information - coordinates, and which type of basis set you are trying to use - I'll try to reproduce this bug.

: Regards,
: Valera.

I just realised that I need to have the findsym.exe on the same machine. The problem is that Cerius2 is on another machine from the actual MOLCAS5.2 installation, so I have to copy the files needed onto the machine where Cerius2 is. I only need to use the MOLCAS GUI to set up input files and visualise the orbitals.
Could you please tell me what files does the MOLCAS GUI needs to read?

Many thanks!

A T

Follow Ups:

• Re: MOLCAS GUI Valera Veryazov 13:01:03 7/18/02 (1)
  • Re: MOLCAS GUI A T 14:39:05 7/18/02 (0) 137.73.6.201

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: : : : : CRITICAL ERROR: : : : File findsym.exe not exist : : The proper location of file findsym.exe is $MOLCAS/src/mipi/bin/findsym.exe, : : and it should build during MOLCAS installation. : : : I am using MOLCAS5.2, and there is no such file in it at all. I am just wondering if the MOLCAS GUI is up to date or not? Or it is problem due to the version of my Cerius2? I'm using version release 4.6. : : I never testes MOLCAS GUI under Cerius 4.6 (only 4.5), but I don't think that it might be : : a problem. : : : : : Despite that, it appears to be working fine for setting up the input for coordinates, and keywords, but when I tried to set the basis, Cerius2 just crashed, due to a bus error. : : Please, send me (by e-mail) all information - coordinates, and which type of basis set you are trying to use - I'll try to reproduce this bug. : : Regards, : : Valera. : I just realised that I need to have the findsym.exe on the same machine. The problem is that Cerius2 is on another machine from the actual MOLCAS5.2 installation, so I have to copy the files needed onto the machine where Cerius2 is. I only need to use the MOLCAS GUI to set up input files and visualise the orbitals. : Could you please tell me what files does the MOLCAS GUI needs to read? : Many thanks! : A T