[Pw_forum] Restart pw.x in a different machine

[Nicola Marzari]

Dear Malicious,

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nicola



On 08/03/2016 19:37, Malicious Scientist wrote:
> Hello Community,
>
> I would like to know if it is possible top stop a pw.x run, copy to
> files to a different machine, and then restart the computation.
>
> For example, to stop the execution, I would create a $prefix.EXIT file
> on the working directory (just like described at
> http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html).
>
> After that, I would copy the entire working directory, including the
> scratch dir, to a remote server with the same version of QE installed.
> Then I would restart the computation setting the 'restart_mode' flag to
> 'restart' at the CONTROL namelist.
>
> Is this supposed to work? If so, may I restart the computation with a
> different number of CPUs?
>
> Thank you for your attention.
>
>
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-- 
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project