In case of running any large calculation, sometimes the job is interrupted due to power supply failure or many other reasons. Is there any way for restarting the job where it was stopped earlier? Restarting the job from the beginning is really tiresome.
The version of Gaussian we are using is 09.
A calculation can be started using information from the checkpoint file (.chk) by including different commands in the route card, for example:
SCF=Restart
Restart a SCF calculation from the checkpoint file. This is normally used when an SCF calculation failed finish for some reason.
Freq=Restart
Restarts a numerical frequency calculation which did not complete. Analytic frequency calculations cannot be restarted.
Opt=Restart
Restarts a geometry optimization which did not complete.
...etc
If a geometry optimization is terminated before completion due to an external factor, you can resume it simply by adding the Restart option to the Opt keyword into the route section of the original job, as in this example:
%Chk=myfile
# Opt=Restart
The Opt=Restart option always begins from the last completed point in the previous optimization.
If the Opt keyword originally had other options, in most cases you can simply add Restart to the existing set:
%Chk=myfile
# Opt=(QST2,Restart) …
you can use restart keyword in the route section to recall the terminated jobs from where it stopped. As Melek said, call the geometry from the previous check point file.
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