[Pw_forum] QE

[Giovanni Cantele]

it depends, it is not clear whether your job crashes because you have a maximum run time or because there are other issues. Did you check the presence of any error in the output? Can it be a memory issue (that means that you requires much more memory than physically available on your computer)?

Without further details, it is quite difficult to answer your question

Giovanni

> On 11 Jul 2017, at 15:56, Shishir Timilsena <expressgucci at gmail.com> wrote:
> 
> our computers are not so fast..so calculations take too much time. on the other hand the only fast computer we have has 32 gb ram and octa-processor . some days ago i was doing relaxation calculation and the computer hanged after 5 hours and my all tasks gone in mud..is there any solution for it ???
> 
> On Tue, Jul 11, 2017 at 2:30 PM, Giovanni Cantele <giovanni.cantele at spin.cnr.it <mailto:giovanni.cantele at spin.cnr.it>> wrote:
> 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 <mailto: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 <tel:+977%20984-5196469>
>> 
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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 <mailto:giovanni.cantele at spin.cnr.it>
> Phone: +39 081 676910 <tel:+39%20081%20676910>
> Skype contact: giocan74
> 
> ResearcherID: http://www.researcherid.com/rid/A-1951-2009 <http://www.researcherid.com/rid/A-1951-2009>
> Web page: http://people.fisica.unina.it/~cantele <http://people.fisica.unina.it/~cantele>
> 
> 
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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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