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

[Hong Tang]

Dear Masters:

I just installed QE6.8 without libxc. It results in the same problems for
"nscf" calculations.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source

pw.x               000000000112C714  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               0000000001173A8B  Unknown               Unknown  Unknown
pw.x               00000000010670F1  Unknown               Unknown  Unknown
pw.x               00000000010154AA  Unknown               Unknown  Unknown
pw.x               0000000001082A1D  Unknown               Unknown  Unknown
pw.x               00000000010706B7  Unknown               Unknown  Unknown
pw.x               00000000010178E6  Unknown               Unknown  Unknown
pw.x               00000000009C68B5  qexsd_module_mp_q         295
 qexsd.f90
pw.x               0000000000559F64  read_conf_from_fi          48
 read_conf_from_file.f90
pw.x               000000000049D568  iosys_                   1480
 input.f90
pw.x               00000000005824C3  run_pwscf_                101
 run_pwscf.f90
pw.x               0000000000409B71  MAIN__                     85
 pwscf.f90
pw.x               00000000004099DE  Unknown               Unknown  Unknown
libc-2.17.so       00002AAAAFD26555  __libc_start_main     Unknown  Unknown
pw.x               00000000004098E9  Unknown               Unknown  Unknown

On Wed, Jul 21, 2021 at 4:53 PM Hong Tang <tanghong992 at gmail.com> wrote:

> 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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