[QE-users] help

[Paolo Giannozzi]

The "instructions" are very basic:
1.  a calculation with restart_mode='scratch', max_seconds=N, followed by
2.  the same calculation with restart_mode='restart'
If the first calculation stops cleanly (after N seconds) with no errors,
the second restarts from the same point.

Paolo

On Tue, Sep 21, 2021 at 1:46 PM Виктор Окулич via users <
users at lists.quantum-espresso.org> wrote:

> Good afternoon, ladies and gentlemen!
>
> Unfortunately, I cannot implement the continuation of the calculation in
> QE in the 'scf' mode after the end of the maximum specified time in the
> 'max_seconds' parameter. I am unable to apply the instructions for using
> the restart_mode = 'restart' parameter, which is provided on the
> corresponding page of the site
> https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm60.
> I would like to see an example of the specific use of this parameter to
> ensure the continuation of the calculation.
>
>
> Thank you in advance for your help.
> All the best.
> Victor Okulich
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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