Author |
Message |
Pete Smith
Unregistered guest
| Posted on Thursday, September 16, 2010 - 4:02 pm: | |
I apologize for such simple questions... We are trying to run a Geometry Optimization on PH3. We are using Mopac2007 MINDO/3 and GAMESS RHF Basic 3-21G. Both jobs fail. I have attached the raw outputs. Any help is appreciated. |
Pete Smith
Unregistered guest
| Posted on Thursday, September 16, 2010 - 4:11 pm: | |
One problem solved. MOPAC2007 does not have MINDO/3 capability. This leads to a new question: Is there a way to remove MINDO/3 from the Theory list? |
JR Schmidt Moderator Username: Schmidt
Post Number: 161 Registered: 11-2006
| Posted on Thursday, September 16, 2010 - 5:10 pm: | |
You can just edit mopac.html to remove/edit the items. I wasn't aware of the omission either! |
Pete Smith
Unregistered guest
| Posted on Thursday, September 16, 2010 - 9:15 pm: | |
Thanks! It turns out that all of our GAMESS jobs are failing. We get essentially the same raw output as the one posted above. I don't understand what it is telling me. Do you have any thoughts about the error with GAMESS? Again, Thanks! Pete |
Pete Smith
Unregistered guest
| Posted on Friday, September 17, 2010 - 4:29 pm: | |
I resolved my GAMESS issue by upgrading to WinGAMESS 2010. I don't know what the problem was, but it's fixed now. Thanks! |