[Pw_forum] QE

Tue Jul 11 19:20:26 CEST 2017

you have to understand if your PC has problems or if you are using it improperly (for example running jobs requiring much more memory than that is available).

In the first case, unfortunately, hardware problems cannot be addressed within this forum. In the second case, reduce the size of the job until you are able to get some result. Maybe, you could attach input/output files, just to let us understand what is going on.

Concerning remote access to a personal computer, it is often quite hard. Most computer now have local IPs, that can be accessed only setting proxies of VPN networks, so a password from a system administrator (I’m not a system administrator!) should be provided. I understand that computer resources might be a big problem for those who want to approach first principles calculations, but sometimes it is necessary to reduce the size of our goals, just to make them to fit the available resources.

Giovanni

> On 11 Jul 2017, at 17:07, Shishir Timilsena <expressgucci at gmail.com> wrote:
> 
> 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 <mailto: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 <mailto: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 <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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