<div dir="ltr"><div>Which OneAPI version? The usual piece of advice applies: try to figure out whether a newer (or older) compiler version fixes the problem. Just noticed that the 2022.1 version of OneAPI is out. <br></div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Dec 23, 2021 at 10:45 AM LEUNG Clarence <<a href="mailto:liangxy123@hotmail.com">liangxy123@hotmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<p class="MsoNormal">Dear QE users and developers,</p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Recently, I compile the newest QE7.0 and QE6.8 with oneapi. However, error occur as follows:</p>
<p class="MsoNormal"> iteration # 1 ecut= 75.00 Ry beta= 0.10</p>
<p class="MsoNormal"> Davidson diagonalization with overlap</p>
<p class="MsoNormal">forrtl: severe (174): SIGSEGV, segmentation fault occurred</p>
<p class="MsoNormal">Image PC Routine Line Source
</p>
<p class="MsoNormal">pw.x 0000000001038FDA Unknown Unknown Unknown</p>
<p class="MsoNormal">libpthread-2.17.s 00002AAAB38B3630 Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB27FCBAC Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB27FC7BA Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB2399677 Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB222F9F2 Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB21FFACA Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB22E2FEC Unknown Unknown Unknown</p>
<p class="MsoNormal">libmpi.so.12.0.0 00002AAAB239C239 MPI_Gatherv Unknown Unknown</p>
<p class="MsoNormal">libmpifort.so.12. 00002AAAB1DD565F MPI_GATHERV Unknown Unknown</p>
<p class="MsoNormal">pw.x 0000000000E2FDED mp_mp_mp_gatherv_ 2252 mp.f90</p>
<p class="MsoNormal">pw.x 0000000000B4CE47 cegterg_ 399 cegterg.f90</p>
<p class="MsoNormal">pw.x 000000000070AECD diag_bands_IP_dia 719 c_bands.f90</p>
<p class="MsoNormal">pw.x 00000000007097E8 diag_bands_ 289 c_bands.f90</p>
<p class="MsoNormal">pw.x 0000000000706943 c_bands_ 126 c_bands.f90</p>
<p class="MsoNormal">pw.x 00000000004104A4 electrons_scf_ 625 electrons.f90</p>
<p class="MsoNormal">pw.x 000000000040D8EA electrons_ 159 electrons.f90</p>
<p class="MsoNormal">pw.x 0000000000585C2E run_pwscf_ 154 run_pwscf.f90</p>
<p class="MsoNormal">pw.x 000000000040AF1C MAIN__ 85 pwscf.f90</p>
<p class="MsoNormal">pw.x 000000000040AD92 Unknown Unknown Unknown</p>
<p class="MsoNormal"><a href="http://libc-2.17.so" target="_blank">libc-2.17.so</a> 00002AAAB3DE4555 __libc_start_main Unknown Unknown</p>
<p class="MsoNormal">pw.x 000000000040ACA9 Unknown Unknown Unknown</p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">On the other hands, I compile the newest QE7.0 and QE6.8 with intel parallel studio 2018, both work.</p>
<p class="MsoNormal">It is very appreciated that you can give me some suggestions.</p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal" style="text-align:justify"><span style="font-size:10.5pt;font-family:DengXian">Thanks<span lang="ZH-CN">！</span><u></u><u></u></span></p>
<p class="MsoNormal" style="text-align:justify"><span style="font-size:10.5pt;font-family:DengXian">Best regards,<u></u><u></u></span></p>
<p class="MsoNormal" style="text-align:justify"><span style="font-size:10.5pt;font-family:DengXian">LIANG Xiongyi<u></u><u></u></span></p>
<p class="MsoNormal" style="text-align:justify"><span style="font-size:10.5pt;font-family:DengXian">Postdoctoral Fellow<u></u><u></u></span></p>
<p class="MsoNormal" style="text-align:justify"><span style="font-size:10.5pt;font-family:DengXian">Hong Kong Quantum AI Lab<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;font-family:DengXian">The University of Hong Kong</span><u></u><u></u></p>
<p class="MsoNormal"><u></u> <u></u></p>
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<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>