Run your calculation

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

Make sure the ethanol job is selected in ADFjobs (it is if you followed the tutorial)
Select the 'Run' command from the 'Jobs' menu

ADFjobs will ask you "Job details have not been set. Continue using ...?" The name of your default queue will be filled in.

Click 'Yes' to run your job on the default machine

This will execute the run script that has just been created. If you have never made changes in the ADFjobs setup, the default behaviour is to run the job in the background on your local computer.

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

While running the job status symbol in ADFjobs changes:

 

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