|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?
Post Number: 98
|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.
|Posted on Tuesday, May 12, 2009 - 5:37 pm: |
Here is an example. Thanks for your help.