[QE-users] QE6.8 and QE6.8 with Libxc.5.1.5 install and run errors

[Hong Tang]

Dear QE Masters:

It looks  libpthread-2.17.s  , libiomp5.so   ,and  libiomp5.so  are intel
mkl libs.  I am sure the intel libs are correct because I use it for other
code compilations and run ok.

Please let me know what the problem is.

Best,
Hong


On Wed, Jul 21, 2021 at 4:40 PM Hong Tang <tanghong992 at gmail.com> wrote:

> Dear Fabrizio and Paolo,
>
> The issue is still there.
>
> I installed Qe6.7 and 6.8 with libxc.5.1.5 with intel compiler. I think
> the installations look good. I got those .x  files in the bin folder.
>
> Both versions are good when run pw.x for "scf" with the silicon example.
> However, both failed for "nscf" runs, even with the pbe functional. the
> errors below:
>  ]$  /home/hongtang/QE68_Libxc_intel/qe-6.8/bin/pw.x -inp Si.1.nscf.in >
> Si.1.nscf.out
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
>
> pw.x               0000000001A701C4  Unknown               Unknown  Unknown
> libpthread-2.17.s  00002AAAAFAF7630  Unknown               Unknown  Unknown
> libiomp5.so        00002AAAAF83A8E0  Unknown               Unknown  Unknown
> libiomp5.so        00002AAAAF83D1CC  Unknown               Unknown  Unknown
> pw.x               0000000001AB753B  Unknown               Unknown  Unknown
> pw.x               0000000001075181  Unknown               Unknown  Unknown
> pw.x               000000000102353A  Unknown               Unknown  Unknown
> pw.x               0000000001090AAD  Unknown               Unknown  Unknown
> pw.x               000000000107E747  Unknown               Unknown  Unknown
> pw.x               0000000001025976  Unknown               Unknown  Unknown
> pw.x               00000000009C6A35  qexsd_module_mp_q         295
>  qexsd.f90
> pw.x               000000000055A0E4  read_conf_from_fi          48
>  read_conf_from_file.f90
> pw.x               000000000049D6E8  iosys_                   1480
>  input.f90
> pw.x               0000000000582643  run_pwscf_                101
>  run_pwscf.f90
> pw.x               0000000000409CF1  MAIN__                     85
>  pwscf.f90
> pw.x               0000000000409B5E  Unknown               Unknown  Unknown
> libc-2.17.so       00002AAAAFD26555  __libc_start_main     Unknown
>  Unknown
> pw.x               0000000000409A69  Unknown               Unknown  Unknown
>
>
>
> Please help.
>
> Hong
>
>
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