> > > > > Sorry..shame on me! Here it is
Intel(R) MPI Library for Linux* OS, Version 2018 Update 3 Build 20180411 (id: 18329) > that should print out the name and the version of the MPI library you are > using. > > Pietro > > > On 04/03/19 10:12, IORI, Federico wrote: > > > > On Mon, Mar 4, 2019 at 9:30 AM Pietro Davide Delugas <[email protected]> > wrote: > >> Hi Federico >> >> have you been working with 6.3 stable version or with the develop >> version(s) ? >> > > 6.3 stable version always > > >> does the error occur with this system or also with other systems ? >> > > For the moment it occurs with the same system CuFeO2 but in different > geometry : periodic supercell ans slabs > > For the "simple" bulk system I do not get any error. The problems starts > when I increase the size of my system. But this error does not come from > memory problem, does it ? > > >> what MPI library are you using ? >> > > INTEL MPIRUN that comes along with the MKL and INTEL compiler release 2018$ > > >> have you tried to compile using the ELPA library ? >> > > Nope. > >> >> sorry for replying with more questions and no answer >> > > Don't worry. I really appreciate the effort. > > Other doubt: could I come from the PS Libray pseudo ? > At the beginning I was using the PS libs pseudo compiled by me. Then I > switch to the same ones but uploaded on the QE website. > > > Pietro >> > > > Thanks again! > >> >> >> >> On 03/01/2019 04:58 PM, IORI, Federico wrote: >> >> Hi everybody. >> I am working with QE 6.3 and from today also testing QE 6.4 on a CuFeO2 >> supercell (4x4x1, large system) >> Recently (since some weeks) I found randomly but very often this error >> poping up after the 1st - 2nd scf iterations after the initialization of >> the wfc. >> >> forrtl: severe (71): integer divide by zero >> Image PC Routine Line Source >> pw.x 0000000000CFE59E Unknown Unknown >> Unknown >> libpthread-2.22.s 00007FFFEFCA5C10 Unknown Unknown >> Unknown >> libmkl_scalapack_ 00007FFFF790512D pzhbrdb_ Unknown >> Unknown >> libmkl_scalapack_ 00007FFFF781765C pzherdb_ Unknown >> Unknown >> libmkl_scalapack_ 00007FFFF77842B9 mkl_pzheevd0_ Unknown >> Unknown >> libmkl_scalapack_ 00007FFFF7782984 mkl_pzheevdm_ Unknown >> Unknown >> libmkl_scalapack_ 00007FFFF778191C pzheevd_ Unknown >> Unknown >> pw.x 0000000000B8E667 zhpev_module_mp_p 1566 >> zhpev_drv.f90 >> pw.x 0000000000B59CD3 pcdiaghg_ 339 >> cdiaghg.f90 >> pw.x 0000000000A8B37A pcegterg_ 957 >> cegterg.f90 >> pw.x 0000000000659331 diag_bands_ 497 >> c_bands.f90 >> pw.x 00000000006569FB c_bands_ 101 >> c_bands.f90 >> pw.x 000000000040CAF1 electrons_scf_ 566 >> electrons.f90 >> pw.x 0000000000409C04 electrons_ 152 >> electrons.f90 >> pw.x 00000000005765BA run_pwscf_ 133 >> run_pwscf.f90 >> pw.x 00000000004077B5 MAIN__ 98 >> pwscf.f90 >> pw.x 000000000040761E Unknown Unknown >> Unknown >> libc-2.22.so 00007FFFEF613725 __libc_start_main Unknown >> Unknown >> pw.x 0000000000407529 Unknown Unknown >> Unknown >> >> Both QE versions are compiled with INTEL 2018 on a Xeon Gold 6128 based >> cluster linking MKL libraries >> The error is reproduced on all the different nodes of the cluster. >> >> I check that the zhpev_drv.f90 routine, where the error seems to come >> from, is in the LAXlib part, but I don't have still any idea about the >> why and the how. >> I am not convinced it is related to memory problem. >> >> Is there anyone who can give me some hints? >> >> In attachment the pw.in and pw.out for sake of completeness. >> >> Thanks so much. >> Federico >> >> -- >> Federico IORI >> >> Computational material scientist >> >> Paris-Saclay Research Center >> >> 1 chemin de la Porte des Loges >> <https://www.google.com/maps/place/Air+Liquide/@48.8297381,2.2016685,11.75z/data=%214m5%213m4%211s0x47e67e61a4fbbdc7:0xca3bea9e80059880%218m2%213d48.7630415%214d2.1333045> >> Les >> Loges en Josas – 78354 Jouy en Josas cedex Mail: >> [email protected] >> >> Phone: +33 7 621 605 15 >> >> >> >> >> _______________________________________________ >> users mailing >> [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Federico IORI > > Computational material scientist > > Paris-Saclay Research Center > > 1 chemin de la Porte des Loges > <https://www.google.com/maps/place/Air+Liquide/@48.8297381,2.2016685,11.75z/data=!4m5!3m4!1s0x47e67e61a4fbbdc7:0xca3bea9e80059880!8m2!3d48.7630415!4d2.1333045> > Les > Loges en Josas – 78354 Jouy en Josas cedex Mail: > [email protected] > > Phone: +33 7 621 605 15 > > > > _______________________________________________ > users mailing > [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Federico IORI Computational material scientist Paris-Saclay Research Center 1 chemin de la Porte des Loges <https://www.google.com/maps/place/Air+Liquide/@48.8297381,2.2016685,11.75z/data=!4m5!3m4!1s0x47e67e61a4fbbdc7:0xca3bea9e80059880!8m2!3d48.7630415!4d2.1333045> Les Loges en Josas – 78354 Jouy en Josas cedex Mail: [email protected] Phone: +33 7 621 605 15
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