[Pw_forum] QE

[Shishir Timilsena]

our pc has some inter problem ..it get hanged sometime..
i tried by restart_mode = 'restart' but it didnt work.. any other idea ???
can you provide me asses to server so that i can compute in your PC  ???

On Tue, Jul 11, 2017 at 7:54 PM, Giovanni Cantele <
giovanni.cantele at spin.cnr.it> wrote:

> 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> 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>
>> 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
>> phone: +977 9845196469 <+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
>> Phone: +39 081 676910 <+39%20081%20676910>
>> Skype contact: giocan74
>>
>> ResearcherID: http://www.researcherid.com/rid/A-1951-2009
>> Web page: http://people.fisica.unina.it/~cantele
>>
>>
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>
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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 <+39%20081%20676910>
> Skype contact: giocan74
>
> ResearcherID: http://www.researcherid.com/rid/A-1951-2009
> Web page: http://people.fisica.unina.it/~cantele
>
>
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