Tutorial 1.3 Submitting the PQS job

Step 10
Submit the job.

With a completed input file we are ready to submit the job. Use the CalculationSubmit Job menu item to run the calculation. The job is submitted and you should see a confirmation dialog in Figure [*].

Image tutorial-ex1-submit
Job Submission - confirmation

At this point PQSMOL begins to monitor the output of the PQS calculation. As soon as output is produced it is displayed in the PQS Output window, shown in Figure [*].

Image tutorial-ex1-submit2
PQS Output window

Two files produced by PQS are monitored. In the top frame, the contents of the .out file (in our example C3H6O3.out) and in the bottom frame the .log file (in our example C3H6O3.log) are displayed.