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