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    <p>If I remember correctly in older version of QE you could
      restarted crashed calculation but it would lead to more issues
      than it would actually solve.</p>
    <p>Keep in mind that if you specify max_seconds, it will still run a
      bit to finish the current scf iteration and to make a clean exit.
      If you run the calculation in the HPC environment on some heavy
      system and you need to split a run between several batch jobs you
      need to make few tests to find the value of max_seconds that would
      work as it won't we the same as the nominal job length (in my
      experience I had to make max_seconds equal to about 23hours if a
      batch job had 24 hours limit, but your millage may wary).</p>
    <p>Oleksandr<br>
    </p>
    <div class="moz-cite-prefix">On 20/05/2020 15:26, Paolo Giannozzi
      wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:CAPMgbCsQj012MOgC8Yc7X6mQ0i9JpCLwLWtW967Bp+cUZ+RYPQ@mail.gmail.com">
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        <div>Restarting from an interrupted calculations works only if
          the calculation is cleanly stopped. This happens either when
          the specified maximum execution time is reached (variable
          max_seconds) or when the running code receives a signal to
          stop, typically via a "prefix".EXIT file. Restarting from a
          calculation that just crashed is unlikely to work.</div>
        <div><br>
        </div>
        <div>Paolo<br>
        </div>
      </div>
      <br>
      <div class="gmail_quote">
        <div dir="ltr" class="gmail_attr">On Tue, May 19, 2020 at 11:56
          AM Vivek Christhunathan <<a
            href="mailto:vivekppn@gmail.com" moz-do-not-send="true">vivekppn@gmail.com</a>>
          wrote:<br>
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        <blockquote class="gmail_quote" style="margin:0px 0px 0px
          0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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            <div class="gmail_default"
              style="font-family:verdana,sans-serif">Hello,</div>
            <div class="gmail_default"
              style="font-family:verdana,sans-serif"><br>
            </div>
            <div class="gmail_default"
              style="font-family:verdana,sans-serif">
              <div style="margin:0px;padding:0px;border:0px
none;font-variant-numeric:inherit;font-variant-east-asian:inherit;font-stretch:inherit;font-size:12pt;line-height:inherit;font-family:Calibri,Arial,Helvetica,sans-serif;vertical-align:baseline;color:black">I
                wanted to continue my interrupted calculation by using
                restart_mode = 'restart'. when I have restarted my
                calculation, I received an error like:</div>
              <div style="margin:0px;padding:0px;border:0px
none;font-variant-numeric:inherit;font-variant-east-asian:inherit;font-stretch:inherit;font-size:12pt;line-height:inherit;font-family:Calibri,Arial,Helvetica,sans-serif;vertical-align:baseline;color:black"><br>
              </div>
              <div style="margin:0px;padding:0px;border:0px
none;font-variant-numeric:inherit;font-variant-east-asian:inherit;font-stretch:inherit;font-size:12pt;line-height:inherit;font-family:Calibri,Arial,Helvetica,sans-serif;vertical-align:baseline;color:black"><span
                  style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
                </span>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"> 
                     Error in routine davcio (10):<br>
                </div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"> 
                     error while reading from file
"/ichec/work/nuig02/vivek05/TiZnMoO2/444k-grid/./outTiZnMoO2/TiZnMoO2.wfc5"<br>
                </div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
                </div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"><br>
                </div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"> 
                     stopping ...</div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"><span
                    style="font-size:12pt"><br>
                  </span></div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"><span
                    style="font-size:12pt">Can you please suggest any
                    solution towards this case, as I am doing this
                    restart option the very first time.</span></div>
                <div style="margin:0px;padding:0px;border:0px
                  none;font:inherit;vertical-align:baseline;color:inherit"><br>
                </div>
              </div>
              <div style="margin:0px;padding:0px;border:0px
none;font-variant-numeric:inherit;font-variant-east-asian:inherit;font-stretch:inherit;font-size:12pt;line-height:inherit;font-family:Calibri,Arial,Helvetica,sans-serif;vertical-align:baseline;color:black">Herewith,
                I have attached the input and output for your kind
                reference.</div>
              <br>
            </div>
            <div>
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                                      <div
style="font-size:16px;background-color:transparent;font-family:Calibri,Arial,Helvetica,sans-serif,EmojiFont,"Apple
                                        Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI Symbol","Android
                                        Emoji",EmojiSymbols;margin-top:0px;margin-bottom:0px"><span
style="background-color:transparent;color:rgb(0,0,0);font-family:"times
                                          new roman",serif"><br>
                                        </span></div>
                                      <div
                                        style="background-color:transparent;margin-top:0px;margin-bottom:0px"><font
                                          face="verdana, sans-serif"><span
style="background-color:transparent;color:rgb(0,0,0)">Kind Regards,</span><br>
                                        </font></div>
                                      <div
                                        style="background-color:transparent;margin-top:0px;margin-bottom:0px">
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><font
                                            face="verdana, sans-serif">Vivek
                                            C</font></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><font
                                            face="verdana, sans-serif"><br>
                                          </font></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><font
                                            face="verdana, sans-serif">__________________________________</font></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><font
                                            face="verdana, sans-serif">Vivek
                                            Christhunathan</font></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><span
                                            lang="EN-US"><font
                                              face="verdana, sans-serif">PhD
                                              researcher</font></span></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><span
                                            lang="EN-US"><font
                                              face="verdana, sans-serif">Mechanical
                                              Engineering</font></span></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><span
                                            lang="EN-US"><font
                                              face="verdana, sans-serif">College
                                              of Engineering and
                                              Informatics</font></span></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><span
                                            lang="EN-US"><font
                                              face="verdana, sans-serif">Room
                                              2053</font></span></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><font
                                            face="verdana, sans-serif"><span
                                              lang="EN-US">Alice Perry
                                              Engineering Building</span><span
style="color:rgb(51,102,255)" lang="EN-US"></span></font></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><font
                                            face="verdana, sans-serif"><span
                                              lang="EN-US">National
                                              University of Ireland
                                              Galway</span><span
                                              style="color:rgb(51,102,255)"
                                              lang="EN-US"></span></font></p>
                                        <p class="MsoNormal"
                                          style="color:rgb(0,0,0)"
                                          align="left"><span
                                            lang="EN-US"><font
                                              face="verdana, sans-serif">Ireland</font></span></p>
                                      </div>
                                      <div dir="ltr"
                                        style="color:rgb(0,0,0)"><font
                                          face="verdana, sans-serif">E-mail:
                                          <a
                                            href="mailto:v.christhunathan1@nuigalway.ie"
                                            target="_blank"
                                            moz-do-not-send="true">v.christhunathan1@nuigalway.ie</a></font></div>
                                      <div dir="ltr"
                                        style="color:rgb(0,0,0)"><font
                                          face="verdana, sans-serif">Phone:
                                          +353 899811181, +91 9600752742</font></div>
                                      <div dir="ltr"
style="color:rgb(0,0,0);font-size:12pt;font-family:Calibri,Arial,Helvetica,sans-serif,EmojiFont,"Apple
                                        Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI Symbol","Android
                                        Emoji",EmojiSymbols"><img
src="https://docs.google.com/uc?export=download&id=1oPtxd7PT5ljQRnuP-Gdf5upjiKPXk7Fz&revid=0B_S3ZLbRRu26NW1YallITFk1ZHMxaStQaUVoMjZ4M2NqcC9BPQ"
                                          moz-do-not-send="true"><br>
                                      </div>
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          </div>
          _______________________________________________<br>
          Quantum ESPRESSO is supported by MaX (<a
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            rel="noreferrer" target="_blank" moz-do-not-send="true">www.max-centre.eu/quantum-espresso</a>)<br>
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      </div>
      <br clear="all">
      <br>
      -- <br>
      <div dir="ltr" class="gmail_signature">
        <div dir="ltr">
          <div>
            <div dir="ltr">
              <div>Paolo Giannozzi, Dip. Scienze Matematiche
                Informatiche e Fisiche,<br>
                Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
                Phone +39-0432-558216, fax +39-0432-558222<br>
                <br>
              </div>
            </div>
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      <br>
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      <pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
    </blockquote>
    <pre class="moz-signature" cols="72">-- 
Oleksandr Motornyi
PhD, Data Scientist

France</pre>
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