Crash with g03 output files

Bugs item #2810997, was opened at 2009-06-24 02:29
Message generated for change (Tracker Item Submitted) made by taeyun0000
You can respond by visiting:

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: Commands / Extensions
Group: v 0.9.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Tae-Yun Park (taeyun0000)
Assigned to: Nobody/Anonymous (nobody)
Summary: crash with g03 output files

Initial Comment:
Just wanted to be one of the people who make the great program like Avogadro to be the best…!

I tried the latest version of Avogadro with 4 G03 output files (tried to attach them, but failed due to the file size limit. Let me know if you need them. I’ll send you those files generated by g03.). None of them worked properly. With the fchk files, I can’t generate the orbitals. As for the g03 files, I can’t optimize or extract the spectra or vibration info. Avogadro simply crashed.

The ealier version(0.8) worked well though for the orbital generation, but I couldn’t test the spectra or vibration functionanlity (doesn’t exist for version 0.8).

Many thanks for your efforts.


You can respond by visiting: