[QE-users] Issues in restart_mode = 'restart'

[Paolo Giannozzi]

Restarting from an interrupted calculations works only if the calculation
is cleanly stopped. This happens either when the specified maximum
execution time is reached (variable max_seconds) or when the running code
receives a signal to stop, typically via a "prefix".EXIT file. Restarting
from a calculation that just crashed is unlikely to work.

Paolo

On Tue, May 19, 2020 at 11:56 AM Vivek Christhunathan <vivekppn at gmail.com>
wrote:

> Hello,
>
> I wanted to continue my interrupted calculation by using restart_mode =
> 'restart'. when I have restarted my calculation, I received an error like:
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine davcio (10):
>      error while reading from file
> "/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc5"
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> Can you please suggest any solution towards this case, as I am doing this
> restart option the very first time.
>
> Herewith, I have attached the input and output for your kind reference.
>
>
> Kind Regards,
>
> Vivek C
>
>
> __________________________________
>
> Vivek Christhunathan
>
> PhD researcher
>
> Mechanical Engineering
>
> College of Engineering and Informatics
>
> Room 2053
>
> Alice Perry Engineering Building
>
> National University of Ireland Galway
>
> Ireland
> E-mail: v.christhunathan1 at nuigalway.ie
> Phone: +353 899811181, +91 9600752742
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200520/bbb8c185/attachment.html>