QuantumATK Forum

QuantumATK => Scripts, Tutorials and Applications => Topic started by: asd.2007mail@gmail.com on October 18, 2016, 06:04

Title: Restarting script after certain fixed period
Post by: asd.2007mail@gmail.com on October 18, 2016, 06:04

On my clusters there is hard time limit of 24 hr. I want to restart the script after that period automatically. If it not converged how should I do it. I am using VNL 2016.2.

Title: Re: Restarting script after certain fixed period
Post by: Ulrik G. Vej-Hansen on October 18, 2016, 08:59

That depends on the queuing system of the cluster. Most of them have a functionality which allows that. In Torque/Maui you can submit a job with the "-W afterany" argument, so it is put on hold until another, specified, job is finished. See more here: http://docs.adaptivecomputing.com/torque/2-5-12/help.htm#topics/commands/qsub.htm

Title: Re: Restarting script after certain fixed period
Post by: Anders Blom on October 18, 2016, 12:54

Except that does not take into account how you actually restart an ATK calculation. See http://docs.quantumwise.com/tutorials/restarting_calculations/restarting_calculations.html