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<p>Dear Pallavi,</p>
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</p>
<p>You can restart the HP calculation by using the keywords <span>perturb_only_atom</span>,
<span>start_q</span>, last_q, and others (please see the documentation). This will work since the data is stored on the disc. But note that there is no automatic restart option (e.g. by specifying restart=.true. or the like).</p>
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<p>HTH</p>
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<p>Iurii<br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Chame Pallavi <chame.pallavi@students.iiserpune.ac.in><br>
<b>Sent:</b> Tuesday, January 17, 2023 2:17:49 PM<br>
<b>To:</b> users@lists.quantum-espresso.org<br>
<b>Subject:</b> [QE-users] Restart of hp.x</font>
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<p style="margin-bottom:0cm;line-height:13px">Dear all,</p>
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<p style="margin-bottom:0cm;line-height:13px">I am doing hp.x calculation for DFT+U+V using Quantum Espresso version 7.0. While the calculation was going on, it got killed due to failure of one of the nodes on which it is running. Is there any possibility to
restart the calculation instead of starting it from the beginning ?</p>
<p style="margin-bottom:0cm;line-height:13px">Thank You.<br>
</p>
<p style="margin-bottom:0cm;line-height:13px">Pallavi</p>
<p style="margin-bottom:0cm;line-height:13px">PhD Department of Chemistry</p>
<p style="margin-bottom:0cm;line-height:13px">Indian Institute of Science Education and Research.</p>
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