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--></style></head><body lang=EN-US link=blue vlink="#954F72" style='word-wrap:break-word'><div class=WordSection1><div><p class=MsoNormal>Sir, I am using Intel-2018.</p><p class=MsoNormal>Is there any way to solve this problem using Intel-2018 in QE-6.6/6.5?</p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Thank you</p><p class=MsoNormal><o:p> </o:p></p></div><p class=MsoNormal><o:p> </o:p></p><div><div><p class=MsoNormal>On Tue, Jan 4, 2022 at 12:22 PM deepti rajpoot <<a href="mailto:deeptirajpoot03@gmail.com">deeptirajpoot03@gmail.com</a>> wrote:</p></div><blockquote style='border:none;border-left:solid #CCCCCC 1.0pt;padding:0in 0in 0in 6.0pt;margin-left:4.8pt;margin-right:0in'><div><p class=MsoNormal>Dear users,</p><div><p class=MsoNormal>I am facing issues in running NSCF and PDOS calculations using Q.E.6.6/6.5. I am getting a segmentation fault in the error file. I am trying to do a PDOS calculation for a large system (44 atoms) with a vacuum (12 ang.) and Hubbard U value. SCF is running fine but then I am getting the following error during NSF and PDOS (even the same k-points in NSCF as SCF giving the same error). I would be grateful for your help on this matter. I have checked other systems that are working fine with 6.6/6.5 so please give me some hints for this system-related problem.</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal><br> Program PROJWFC v.6.6 starts on 4Jan2022 at 13:15:52<br><br> This program is part of the open-source Quantum ESPRESSO suite<br> for quantum simulation of materials; please cite<br> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<br> URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>",<br> in publications or presentations arising from this work. More details at<br> <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a><br><br> Parallel version (MPI), running on 32 processors<br><br> MPI processes distributed on 1 nodes<br> R & G space division: proc/nbgrp/npool/nimage = 32<br> Fft bands division: nmany = 1<br><br> Reading xml data from directory:<br><br> ./tmp/1%_AO_12_sur_scf.save/</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>Thank you<o:p></o:p></span></p><div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>Yours Sincerely,<o:p></o:p></span></p></div><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>Deepti Rajpoot<o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>Research Scholar<o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>Indian Institute of Science Education and Research Bhopal<o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>Bhopal, Madhya Pradesh,<o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span style='font-size:10.5pt;font-family:"Helvetica",sans-serif;color:black'>India<o:p></o:p></span></p></div></div></blockquote></div><p class=MsoNormal style='margin-left:4.8pt'><img border=0 id="_x0000_i1025" src="https://ci5.googleusercontent.com/proxy/MsiAuQYv1j0qJ-5Tuvyr3yyjb6-FdxFlS0mGktIzfbxNiz7oTSwT9MVYgxW0b4gLyVxlDWII8GdvmMgHzIWytAo_M-IhL3zCx-_Mm92ouA_oITGs5leg95Bw9wO9AWuUgLCywqa9U8WviGBlrmLEsqvkbcvTH5HiQKk9bTaSNinj1VCRdSweysr_DkVHIRkNdsvmTjAOzeuQ6bx9Jiv9Lw="><span style='font-size:7.5pt;font-family:"Gadugi",sans-serif;color:white'>ᐧ</span></p></div></body></html>