|Posted on Tuesday, February 12, 2002 - 4:48 pm: |
I am running webmo 3.2 (not the PRO version) on Linux (Debian Distribution, Woody). I have gamess and MOpac 7 both installed. I can see, by viewing the raw output for both Mopac and Gamess jobs that the jobs have completed successfully, but the job manager does not terminate the job. On killing the job the job manager reports the job as successful.
What changes do I have to make to make the job manager terminate the job on successful completion. I do not get this problem when I run
gamess or Mopac outside webmo by themselves.
Also, once the job is over, to determine the geometry of the optimized structure, do we have
to select "Do another job with the same structure"
or some such to select the editor, or is there
|Posted on Tuesday, February 12, 2002 - 6:48 pm: |
You should not have to do anything to make the job manager recognize that the jobs have finished. However, remember that you are looking at a static web page; the page simply gives the status of the job as of when the page was generated. Click the "Refresh" button to get an update on the status of a job.
To view an optimized structure, click the "View" button in the job manager. At the top of the page, you can see the optimized structure. You can measure bond-lengths and angles right on the page by selecting 2 atoms (for a bond length), 3 atoms (for a bond angle), or 4 atoms (to measure the dihedral angle). Simply shift-click to select multiple atoms.