> But both the software version can't submit jobs to GAMESS. In the extensions 
> tab, under GAMESS, input generator the compute button is not active and there 
> is no way to link it to GAMESS installation.

Despite the best of intentions with "compute" buttons in Avogadro 1.x, there 
wasn't a great solution because running jobs on different OS are all handled 
differently. In Avogadro 2, currently under development, jobs are handed off to 
MoleQueue, a program that can handle running jobs locally (e.g., on Windows in 
your case) as well as remotely.

> Another problem is that when I try to view vibrational modes from the GAMESS 
> output the program crashes without any useful message, screenshot attached.

That's likely a bug in Open Babel. If you can share the file, we can likely 
find the bug.

Thanks and best regards,
-Geoff

---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geo...@pitt.edu
web: http://hutchison.chem.pitt.edu/

------------------------------------------------------------------------------
Developer Access Program for Intel Xeon Phi Processors
Access to Intel Xeon Phi processor-based developer platforms.
With one year of Intel Parallel Studio XE.
Training and support from Colfax.
Order your platform today. http://sdm.link/xeonphi
_______________________________________________
Avogadro-Discuss mailing list
Avogadro-Discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-discuss

Reply via email to