QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: [email protected] on September 30, 2016, 06:49

Title: Rerun the script
Post by: [email protected] 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??

Title: Re: Rerun the script
Post by: Jess Wellendorff on September 30, 2016, 07:31

You may use the checkpoint file for restarting: http://docs.quantumwise.com/tutorials/restarting_calculations/restarting_calculations.html (http://docs.quantumwise.com/tutorials/restarting_calculations/restarting_calculations.html). If you don't have that file, you need to rerun the full calculation.

Title: Re: Rerun the script
Post by: [email protected] on October 1, 2016, 11:07

Thank You!!