[Pw_forum] QE

[Giovanni Cantele]

try to use the same input setting restart_mode=‘restart’. 

It might work or not, because a robust restart procedure is implemented, but it requires that the code has
not been stopped while writing to disk some needed files. Just for information, a ‘clean’ code exit, that ensures the correct working of
the restart procedure, can be obtained either by setting the variable max_seconds (in the case you have a queuing system
that allows you to submit jobs with limited duration) or by creating an empty file within outdir with name prefix.EXIT where
prefix is the same as in the input file. Of course both strategies are useless if the computer shuts down improperly.

In your case, if the relaxation calculation has gone beyond the first step, that means that you find new geometries in output, you can also
copy the last geometry (ATOMIC_POSITIONS) and restart a calculation from scratch.

Giovanni


> On 11 Jul 2017, at 05:31, Shishir Timilsena <expressgucci at gmail.com> wrote:
> 
> How can i continue the relax calculation if the computer is hanged or showdown unknowingly  ???
> 
> Shishir Timilsena, M.Sc
> St.xavier's College
> Kathmandu,Nepal
> e-mail: shishir.timilsena at gmail.com <mailto:shishir.timilsena at gmail.com>
> phone: +977 9845196469
> 
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.fisica.unina.it/~cantele

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