WebMO - Computational chemistry on the WWW
Recent news

WebMO 10.1 is now available for free download!

WebMO 10.1 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now be installed on Windows, Mac, and Unix servers!

March 31, 2020

MOPAC and GAMESS Geometry Optimizatio... Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » Job Options » MOPAC and GAMESS Geometry Optimization Failing « Previous Next »

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.
text/plainMOPAC2007 MINDO/3
MOPAC2007 MINDO3.txt (1.8 k)
text/plainGAMESS RHF Basic 3-21G
GAMESS RHF Basic.txt (0.7 k)
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
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:   


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 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.


Add Your Message Here
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration