Run your calculation

To actually perform the calculation (the geometry optimization of the ethanol molecule), use the Job → Run menu command in ADFjobs:

Make sure the ethanol job is selected in ADFjobs (it is if you followed the tutorial)
Select the Job → Run command

This will execute the run script that has just been created. If you have never made changes in the ADFjobs setup, the default behavior is to run the job in the background on your local computer, using the Sequential queue. This queue will make sure that if you try to run more then one job at the same time, they will be run one after another.

Once your job starts running, ADFjobs will open ADFtail to monitor the progress of the calculation (the logfile):

ADFtail

While running the job status symbol in ADFjobs changes:

ADFjobs job running

SCM Home Page
Quality Software. Quantum Science
*
*
5.9.17.106
Copyright Terms of UsePrivacy Policy
Home Products Try & Buy Downloads Documentation Support Highlights News About SCM Contact
Home     Products     Try & Buy     Downloads     Documentation     Support     Highlights     News     About SCM     Contact