Dear Paolp Thanks for your reply. It is oneapi 2021.3.0.
LIANG From: Paolo Giannozzi<mailto:[email protected]> Sent: Thursday, December 23, 2021 6:07 PM To: Quantum ESPRESSO users Forum<mailto:[email protected]> Subject: Re: [QE-users] Compiling quantum espresso 7.0 with oneapi 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. Paolo On Thu, Dec 23, 2021 at 10:45 AM LEUNG Clarence <[email protected]<mailto:[email protected]>> wrote: Dear QE users and developers, Recently, I compile the newest QE7.0 and QE6.8 with oneapi. However, error occur as follows: iteration # 1 ecut= 75.00 Ry beta= 0.10 Davidson diagonalization with overlap forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 0000000001038FDA Unknown Unknown Unknown libpthread-2.17.s 00002AAAB38B3630 Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB27FCBAC Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB27FC7BA Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB2399677 Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB222F9F2 Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB21FFACA Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB22E2FEC Unknown Unknown Unknown libmpi.so.12.0.0 00002AAAB239C239 MPI_Gatherv Unknown Unknown libmpifort.so.12. 00002AAAB1DD565F MPI_GATHERV Unknown Unknown pw.x 0000000000E2FDED mp_mp_mp_gatherv_ 2252 mp.f90 pw.x 0000000000B4CE47 cegterg_ 399 cegterg.f90 pw.x 000000000070AECD diag_bands_IP_dia 719 c_bands.f90 pw.x 00000000007097E8 diag_bands_ 289 c_bands.f90 pw.x 0000000000706943 c_bands_ 126 c_bands.f90 pw.x 00000000004104A4 electrons_scf_ 625 electrons.f90 pw.x 000000000040D8EA electrons_ 159 electrons.f90 pw.x 0000000000585C2E run_pwscf_ 154 run_pwscf.f90 pw.x 000000000040AF1C MAIN__ 85 pwscf.f90 pw.x 000000000040AD92 Unknown Unknown Unknown libc-2.17.so<http://libc-2.17.so> 00002AAAB3DE4555 __libc_start_main Unknown Unknown pw.x 000000000040ACA9 Unknown Unknown Unknown On the other hands, I compile the newest QE7.0 and QE6.8 with intel parallel studio 2018, both work. It is very appreciated that you can give me some suggestions. Thanks！ Best regards, LIANG Xiongyi Postdoctoral Fellow Hong Kong Quantum AI Lab The University of Hong Kong _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>) users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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