Colleagues
The screenshots at http://avogadro.openmolecules.net/wiki/GAMESS
suggest that Avogadro can submit a job to GAMESS. I do not have this
button on the WinXP version of Avogadro.
I must confess that I installed GAMESS in the Program Files directory:
"c:\Program Files\GAMESS"
I didn’t find where this was set in Avogadro.
Thanks,
Dr. Roy Jensen
(==========)-----------------------------------------¤
Chemistry, Grant MacEwan University
Room 5-172J, 10700-104 Avenue
Edmonton, AB T5J 4S2
780.633.3915
The screenshots at http://avogadro.openmolecules.net/wiki/GAMESS
suggest that Avogadro can submit a job to GAMESS. I do not have this
button on the WinXP version of Avogadro.
Considering I’ve never used GAMESS on Windows, I didn’t know if I could make it work. (Actually, for what it’s worth, it’s currently disabled on Mac and Linux too.)
The main thing I’d need to know is a command-line for executing a GAMESS job on Windows. If you can help with that, I can work to get it in a development version for you to test.
Thanks,
-Geoff
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoff.hutchison@gmail.com
web: http://hutchison.chem.pitt.edu/