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<p class="MsoNormal">Dear Paolp</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span style="font-size:10.5pt;font-family:DengXian">Thanks for your reply. It is oneapi 2021.3.0.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;font-family:DengXian"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.5pt;font-family:DengXian">LIANG</span><o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="border:none;padding:0in"><b>From: </b><a href="mailto:p.giannozzi@gmail.com">Paolo Giannozzi</a><br>
<b>Sent: </b>Thursday, December 23, 2021 6:07 PM<br>
<b>To: </b><a href="mailto:users@lists.quantum-espresso.org">Quantum ESPRESSO users Forum</a><br>
<b>Subject: </b>Re: [QE-users] Compiling quantum espresso 7.0 with oneapi</p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">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.
<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Paolo<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">On Thu, Dec 23, 2021 at 10:45 AM LEUNG Clarence <<a href="mailto:liangxy123@hotmail.com">liangxy123@hotmail.com</a>> wrote:<o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Dear QE users and developers,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Recently, I compile the newest QE7.0 and QE6.8 with oneapi. However, error occur as follows:</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> iteration # 1 ecut= 75.00 Ry beta= 0.10</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> Davidson diagonalization with overlap</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">forrtl: severe (174): SIGSEGV, segmentation fault occurred</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Image PC Routine Line Source
</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 0000000001038FDA Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libpthread-2.17.s 00002AAAB38B3630 Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB27FCBAC Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB27FC7BA Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB2399677 Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB222F9F2 Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB21FFACA Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB22E2FEC Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpi.so.12.0.0 00002AAAB239C239 MPI_Gatherv Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">libmpifort.so.12. 00002AAAB1DD565F MPI_GATHERV Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 0000000000E2FDED mp_mp_mp_gatherv_ 2252 mp.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 0000000000B4CE47 cegterg_ 399 cegterg.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 000000000070AECD diag_bands_IP_dia 719 c_bands.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 00000000007097E8 diag_bands_ 289 c_bands.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 0000000000706943 c_bands_ 126 c_bands.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 00000000004104A4 electrons_scf_ 625 electrons.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 000000000040D8EA electrons_ 159 electrons.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 0000000000585C2E run_pwscf_ 154 run_pwscf.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 000000000040AF1C MAIN__ 85 pwscf.f90</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 000000000040AD92 Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><a href="http://libc-2.17.so" target="_blank">libc-2.17.so</a> 00002AAAB3DE4555 __libc_start_main Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">pw.x 000000000040ACA9 Unknown Unknown Unknown</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">On the other hands, I compile the newest QE7.0 and QE6.8 with intel parallel studio 2018, both work.</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">It is very appreciated that you can give me some suggestions.</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-align:justify;text-justify:inter-ideograph">
<span style="font-size:10.5pt;font-family:DengXian">Thanks<span lang="ZH-CN">！</span></span></p>
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<span style="font-size:10.5pt;font-family:DengXian">Best regards,</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-align:justify;text-justify:inter-ideograph">
<span style="font-size:10.5pt;font-family:DengXian">LIANG Xiongyi</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-align:justify;text-justify:inter-ideograph">
<span style="font-size:10.5pt;font-family:DengXian">Postdoctoral Fellow</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;text-align:justify;text-justify:inter-ideograph">
<span style="font-size:10.5pt;font-family:DengXian">Hong Kong Quantum AI Lab</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-size:10.5pt;font-family:DengXian">The University of Hong Kong</span></p>
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<p class="MsoNormal">_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">
users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><o:p></o:p></p>
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<br>
-- <o:p></o:p></p>
<p class="MsoNormal" style="margin-bottom:12.0pt">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<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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