Author Topic: Rerun the script  (Read 2769 times)

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Offline asd.2007mail@gmail.com

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Rerun the script
« on: September 30, 2016, 06:49 »
I run the script with max. 200 steps. But due to light fluctuation it stopped in middle. I gave it on the 20 parallel processors with mpich. How do I restart it from where it has been stopped??
(In command line).
Or does it need to run from the beginning??


Offline Jess Wellendorff

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Re: Rerun the script
« Reply #1 on: September 30, 2016, 07:31 »
You may use the checkpoint file for restarting: http://docs.quantumwise.com/tutorials/restarting_calculations/restarting_calculations.html. If you don't have that file, you need to rerun the full calculation.

Offline asd.2007mail@gmail.com

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Re: Rerun the script
« Reply #2 on: October 1, 2016, 11:07 »
Thank You!!