<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>Dear QE users,</div><div><br data-mce-bogus="1"></div><div>I am computing D3Q calculations using a system of 44 atoms and the D3Q code looks like this:</div><div><br data-mce-bogus="1"></div><div><div>D3</div><div>&inputd3q</div><div> mode='full'</div><div> prefix = 'scf.d1',</div><div> fildrho = 'drho',</div><div> fildrho_dir = 'FILDRHO'</div><div> fild3dyn = 'FILD3DYN/anh',</div><div> ethr_ph = 1.d-9</div><div> offset=0</div><div> step= 1</div><div> restart=.true.</div><div> /</div><div> 2 2 2</div><div><br data-mce-bogus="1"></div><div>After running for several days, suddenly it stopped with the following error:</div><div><br data-mce-bogus="1"></div><div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> task # 71</div><div> from davcio : error # 5011</div><div> error while writing from file ".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72"</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div></div></div><div><br data-mce-bogus="1"></div><div>I am using QE 6.5. The D3Q (<span style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 16px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: #ffffff; text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;" data-mce-style="color: #000000; font-family: arial, helvetica, sans-serif; font-size: 16px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: #ffffff; text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;">d3q-1.1.7</span><span style="font-size: 12pt;">) ran smoothly up to some point. Is it happening due to some memory issue?</span></div><div><br data-mce-bogus="1"></div><div><span style="color: #4d4d4d; font-family: Arial, Helvetica, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: justify; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: #ffffff; text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;" data-mce-style="color: #4d4d4d; font-family: Arial, Helvetica, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: 2; text-align: justify; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; background-color: #ffffff; text-decoration-thickness: initial; text-decoration-style: initial; text-decoration-color: initial; display: inline !important; float: none;"><br data-mce-bogus="1"></span></div><div><div style="clear: both;" data-mce-style="clear: both;">Of course, I am running D3Q code with more processors (np 512, nk 2) than that of the pw.x calculation (np 32, nk 2). But it is written in the D3Q manual of version d3q-1.1.7 that </div><div style="clear: both;" data-mce-style="clear: both;">"<span style="font-size: 12pt;">It is not strictly necessary to run d3q.x with the same number of CPUs or pools than pw.x, however, this </span>is the most commonly tested case and there is a small chance that some unexpected bug may appear if <span style="font-size: 12pt;">you do otherwise</span>". Also, if the number of processors is the issue, then shouldn't it be stopped immediately?</div><div style="clear: both;" data-mce-style="clear: both;"><br data-mce-bogus="1"></div><div style="clear: both;" data-mce-style="clear: both;">Any suggestions to solve this issue?</div><div style="clear: both;" data-mce-style="clear: both;"><br data-mce-bogus="1"></div><div style="clear: both;" data-mce-style="clear: both;">Thanks in advance for your help,</div><div style="clear: both;" data-mce-style="clear: both;"><br data-mce-bogus="1"></div><div style="clear: both;" data-mce-style="clear: both;">Regards,</div><div style="clear: both;" data-mce-style="clear: both;">Kanka</div> </div><div><br></div><div data-marker="__SIG_PRE__">Kanka Ghosh<br>Postdoctoral Researcher<br>I2M-Bordeaux<br>University of Bordeaux, CNRS UMR 5295<br>Site: Ecole Nationale Supérieure des Arts et Métiers<br>Bordeaux-Talence 33400</div></div></body></html>