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--></style></head><body lang=EN-US link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Hi <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Impossible to tell what happened with so few details <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'>Could you provide the input of the scf calculation and of pp.x at least. <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'> Pietro <o:p></o:p></span></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10</p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal style='border:none;padding:0in'><b>From: </b><a href="mailto:namhuynh090595@gmail.com">Thanh-Nam Huynh</a><br><b>Sent: </b>Wednesday, August 19, 2020 4:54 PM<br><b>To: </b><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br><b>Subject: </b>[QE-users] [QE-user] Problems when running pp.x</p></div><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p><div><p class=MsoNormal>Dear colleagues,</p><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>I ran into a problem when trying to run pp.x for my surface slab. The program stopped after a few seconds and error lines appeared, indicating two errors, namely: free() invalid memory, and munmap_chunk() invalid pointer. </p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>I did some research and realized that it was the problem with the C (or C++) compiler related to malloc() function and it was suggested to check the code I was running. Also, I saw elsewhere that Dr. Paolo Giannozzi once stated that it's not the problem with QE. Therefore, I have no idea how to overcome this problem.<br clear=all></p><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>Has anyone experienced similar cases? Can you give me some advice? All suggestions are highly appreciated.</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>(By the way, I am running QE on a 64-core AMD Ryzen 3999X workstation, if it helps)</p></div><div><p class=MsoNormal><o:p> </o:p></p></div><div><p class=MsoNormal>Best regards,</p></div></div><p class=MsoNormal>-- </p><div><div><div><div><div><div><div><div><div><div><div><div><p class=MsoNormal><b><span style='font-size:10.0pt'>Huynh Thanh-Nam</span></b><span style='font-size:12.0pt'><o:p></o:p></span></p></div></div><div><p class=MsoNormal><span style='font-size:10.0pt'>Department of Materials Science and Engineering, Chungnam National University</span><span style='font-size:12.0pt'><o:p></o:p></span></p></div><div><p class=MsoNormal>Yuseong-gu, Daejeon 34134, Korea</p></div></div></div></div></div></div></div></div></div></div></div></div><p class=MsoNormal><span style='font-size:10.0pt'>Tel: (+82) 010 5719 1521</span><span style='font-size:12.0pt'><o:p></o:p></span></p><p class=MsoNormal><span class=DefaultFontHxMailStyle><span style='font-size:12.0pt'><o:p> </o:p></span></span></p></div></body></html>