<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">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).<div class=""><br class=""></div><div class="">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.</div><div class=""><br class=""></div><div class="">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.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 11 Jul 2017, at 17:07, Shishir Timilsena <<a href="mailto:expressgucci@gmail.com" class="">expressgucci@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class=""><div class="">our pc has some inter problem ..it get hanged sometime..<br class=""></div>i tried by restart_mode = 'restart' but it didnt work.. any other idea ???<br class=""></div>can you provide me asses to server so that i can compute in your PC ???<br class=""></div><div class="gmail_extra"><br class=""><div class="gmail_quote">On Tue, Jul 11, 2017 at 7:54 PM, Giovanni Cantele <span dir="ltr" class=""><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word" class="">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)?<div class=""><br class=""></div><div class="">Without further details, it is quite difficult to answer your question</div><span class="HOEnZb"><font color="#888888" class=""><div class=""><br class=""></div><div class="">Giovanni</div></font></span><div class=""><div class="h5"><div class=""><br class=""><div class=""><blockquote type="cite" class=""><div class="">On 11 Jul 2017, at 15:56, Shishir Timilsena <<a href="mailto:expressgucci@gmail.com" target="_blank" class="">expressgucci@gmail.com</a>> wrote:</div><br class="m_2683550124018384510Apple-interchange-newline"><div class=""><div dir="ltr" class="">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 ???<br class=""></div><div class="gmail_extra"><br class=""><div class="gmail_quote">On Tue, Jul 11, 2017 at 2:30 PM, Giovanni Cantele <span dir="ltr" class=""><<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a>></span> wrote:<br class=""><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word" class="">try to use the same input setting restart_mode=‘restart’. <div class=""><br class=""></div><div class="">It might work or not, because a robust restart procedure is implemented, but it requires that the code has</div><div class="">not been stopped while writing to disk some needed files. Just for information, a ‘clean’ code exit, that ensures the correct working of</div><div class="">the restart procedure, can be obtained either by setting the variable max_seconds (in the case you have a queuing system</div><div class="">that allows you to submit jobs with limited duration) or by creating an empty file within outdir with name prefix.EXIT where</div><div class="">prefix is the same as in the input file. Of course both strategies are useless if the computer shuts down improperly.</div><div class=""><br class=""></div><div class="">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</div><div class="">copy the last geometry (ATOMIC_POSITIONS) and restart a calculation from scratch.</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""><div class=""><blockquote type="cite" class=""><div class=""><div class="m_2683550124018384510h5"><div class="">On 11 Jul 2017, at 05:31, Shishir Timilsena <<a href="mailto:expressgucci@gmail.com" target="_blank" class="">expressgucci@gmail.com</a>> wrote:</div><br class="m_2683550124018384510m_9074403115535580729Apple-interchange-newline"></div></div><div class=""><div class=""><div class="m_2683550124018384510h5"><div dir="ltr" class="">How can i continue the relax calculation if the computer is hanged or showdown unknowingly ???<br class=""><br class="">Shishir Timilsena, M.Sc<br class="">St.xavier's College<br class="">Kathmandu,Nepal<br class="">e-mail: <a href="mailto:shishir.timilsena@gmail.com" target="_blank" class="">shishir.timilsena@gmail.com</a><br class="">phone: <a href="tel:+977%20984-5196469" value="+9779845196469" target="_blank" class="">+977 9845196469</a><br class=""><br class=""></div></div></div>
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<div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: <a href="tel:+39%20081%20676910" value="+39081676910" target="_blank" class="">+39 081 676910</a><br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank" class="">http://www.researcherid.com/ri<wbr class="">d/A-1951-2009</a><br class="">Web page: <a href="http://people.fisica.unina.it/~cantele" target="_blank" class="">http://people.fisica.unina.it/<wbr class="">~cantele</a><br class=""></div>
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<div style="letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; word-wrap: break-word;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: <a href="tel:+39%20081%20676910" value="+39081676910" target="_blank" class="">+39 081 676910</a><br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" target="_blank" class="">http://www.researcherid.com/<wbr class="">rid/A-1951-2009</a><br class="">Web page: <a href="http://people.fisica.unina.it/~cantele" target="_blank" class="">http://people.fisica.unina.it/<wbr class="">~cantele</a><br class=""></div>
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