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<p>Ok thanks! Please try also QE v7.2 just to be sure. <br>
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<p>Greetings,</p>
<p>Iurii<br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<br>
<span style="font-family:Cambria,Georgia,serif">Dr. Iurii TIMROV</span><br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Elio Physics <elio-physics@live.com><br>
<b>Sent:</b> Friday, June 30, 2023 6:12:46 PM<br>
<b>To:</b> Quantum Espresso users Forum; Timrov Iurii<br>
<b>Subject:</b> Re: Turbo_eels.x crashing for bulk MoS2</font>
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Dear Iurri,</div>
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Thanks for your quick reply. I am using QE-7.1. I am not sure it is related to the version of QE. In any case, I will send through a shared folder the input and output files. Maybe, there is something I missed.</div>
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regards <br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size: 11pt; color: rgb(0, 0, 0);" face="Calibri, sans-serif"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Timrov Iurii via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Friday, June 30, 2023 12:05 PM<br>
<b>To:</b> Quantum Espresso users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] Turbo_eels.x crashing for bulk MoS2</font>
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Dear <span>Elie</span>,</p>
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Which version of Quantum ESPRESSO are you using? Please try the latest one v7.2. If the problem is still there, please report the input and output files (via a shared folder, not attachment).</p>
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Cheers,</p>
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Iurii<br>
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<font size="3" face="'Times New Roman', Times, serif">--<br>
<span style="font-family:Cambria,Georgia,serif">Dr. Iurii TIMROV</span><br>
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<span style="font-size: 12pt; font-family: Cambria, Georgia, serif; color: rgb(128, 128, 128);">Swiss Federal Institute of Technology Lausanne (EPFL</span><font style="font-size: 12pt; font-family: "Times New Roman", Times, serif; color: rgb(128, 128, 128);"><font face="'Times New Roman', Times, serif"><span style="font-family:Cambria,Georgia,serif">)</span></font></font><br>
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<span style="font-family:Cambria,Georgia,serif"></span><font size="3" face="'Times New Roman', Times, serif"><span style="font-family:Cambria,Georgia,serif">CH-1015 Lausanne, Switzerland</span><br>
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<div id="x_divRplyFwdMsg" dir="ltr"><font style="font-size: 11pt; color: rgb(0, 0, 0);" face="Calibri, sans-serif"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Elio Physics <Elio-Physics@live.com><br>
<b>Sent:</b> Friday, June 30, 2023 3:59:37 PM<br>
<b>To:</b> Quantum Espresso users Forum<br>
<b>Subject:</b> [QE-users] Turbo_eels.x crashing for bulk MoS2</font>
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Dear all,</div>
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I am trying to run the turbo_eels.x executable for bulk MoS2. In the scf caluclation , I have included the van der Waals corrections as vdw_corr='DFT-D'. However the EE;LS calculation crashes with a segmentation fault error:</div>
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forrtl: severe (174): SIGSEGV, segmentation fault occurred
<div class="x_ContentPasted0">Image PC Routine Line Source</div>
<div class="x_ContentPasted0">turbo_eels.x 0000000001007713 Unknown Unknown Unknown</div>
<div class="x_ContentPasted0">libpthread-2.19.s 00007FFFE4CF0870 Unknown Unknown Unknown</div>
<div class="x_ContentPasted0">turbo_eels.x 0000000000A41549 london_module_mp_ 291 mm_dispersion.f90</div>
<div class="x_ContentPasted0">turbo_eels.x 000000000069F071 summary_ 266 summary.f90</div>
<div class="x_ContentPasted0">turbo_eels.x 00000000005B5F0D init_run_ 75 init_run.f90</div>
<div class="x_ContentPasted0">turbo_eels.x 000000000045B329 lr_run_nscf_ 73 lr_run_nscf.f90</div>
<div class="x_ContentPasted0">turbo_eels.x 000000000040B920 MAIN__ 92 lr_eels_main.f90</div>
<div class="x_ContentPasted0">turbo_eels.x 000000000040B822 Unknown Unknown Unknown</div>
<div class="x_ContentPasted0">libc-2.19.so 00007FFFE426FB25 __libc_start_main Unknown Unknown</div>
<div class="x_ContentPasted0">turbo_eels.x 000000000040B729 Unknown Unknown Unknown</div>
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which signals an error related to the dispersion flag. I am sure I have run some of these calculations in the past and I did not have any problem.
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Any help is appreciated</div>
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Thanks in advance</div>
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Elie Moujaes</div>
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Federal university of Rondonia</div>
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Porto velho</div>
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Brazil <br>
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