WebMO - Computational chemistry on the WWW
Recent news

WebMO 9.1 is now available for free download!

WebMO 9.1 Pro and Enterprise have a variety of additional features and is available for purchase.

Signup for the free Computational Chemistry for Chemistry Educators workshop, which uses WebMO.

August 17, 2019

Multi-step job completion Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » View Results » Multi-step job completion « Previous Next »

Author Message
Nick Mosey
Unregistered guest
Posted on Tuesday, May 12, 2009 - 11:41 am:   

We are using webmo pro to run gaussian03. In some cases, when we run multi-step jobs (e.g. opt + freq) the job is listed as completed even though it has failed. In the case of opt+freq, the optimization step of the job completed successfully, but the subsequent frequency calculation failed. Is is possible to update webmo to check that all steps of multi-step jobs complete properly?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 98
Registered: 11-2006
Posted on Tuesday, May 12, 2009 - 11:59 am:   

Can you send me an example of such a "partially complete" output file? This will help me improve the parsing.
Nick Mosey
Unregistered guest
Posted on Tuesday, May 12, 2009 - 5:37 pm:   

Here is an example. Thanks for your help.
text/plain
output.log.txt (762.7 k)

Add Your Message Here
Post:
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.
Password:
E-mail:
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message
Action:

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