[QE-users] forrtl: severe (71): integer divide by zero - zhpev_drv.f90 in QE 6.3 and QE 6.4

[Pietro Davide Delugas]

Hi Federico

have  you been working with 6.3 stable version or with the develop 
version(s) ?
does the error occur with this system or also with other systems ?
what MPI library are you using ?
have you tried to compile using the ELPA library ?

sorry for replying with more questions  and no answer
Pietro



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 <http://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 theLAXlib  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 <http://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: 
> federico.iori at airliquide.com <mailto:federico.iori at airliquide.com>
>
> Phone: +33 7 621 605 15
>
>
>
>
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