[QE-users] Running error of QE 6.4

[Paolo Giannozzi]

Some versions of the Intel compiler don't like the new code writing the xml
input to file.  Just comment out line 1691 in PW/src/input.f90:
!  CALL pw_init_qexsd_input(qexsd_input_obj, obj_tagname="input")
or edit line 1690 (just above) as follows:
#if ! defined (__INTEL_COMPILER) || (__INTEL_COMPILER >= 1500)
This should have the same effect (you have v.14 apparently). Then
recompile. The xml input is currently not used by any QE code.

Paolo

On Wed, Mar 6, 2019 at 8:02 AM 王舒东 <sd.wang000 at 163.com> wrote:

> Dear Paolo,
> Attached is the config.log of the QE 6.4. I used intel compiler and
> mpich20intel mpi.
>
> Thanks!
>
> SD
>
> *S.D.Wang*
> 王舒东
> On 3/6/2019 14:52，Paolo Giannozzi<p.giannozzi at gmail.com>
> <p.giannozzi at gmail.com> wrote：
>
> Compiler?
>
> Il mer 6 mar 2019 04:51 王舒东 <sd.wang000 at 163.com> ha scritto:
>
>> Dear all,
>> I have installed QE6.4 successfully and when I run it always appear error
>> and stop without any CRASH file except for:
>>
>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
>> Image PC Routine Line Source
>> pw.x 0000000000EF33B9 Unknown Unknown Unknown
>> pw.x 0000000000EF1D30 Unknown Unknown Unknown
>> pw.x 0000000000EA1EC2 Unknown Unknown Unknown
>> pw.x 0000000000E33F53 Unknown Unknown Unknown
>> pw.x 0000000000E3AFCB Unknown Unknown Unknown
>> libpthread.so.0 000000395800F500 Unknown Unknown Unknown
>> pw.x 0000000000B260BA qes_init_module_m 1584 qes_init_module.f90
>> pw.x 0000000000A394DA qexsd_input_mp_qe 184 qexsd_input.f90
>> pw.x 00000000005C17C2 pw_init_qexsd_inp 379 pw_init_qexsd_input.f90
>> pw.x 0000000000528416 iosys_ 1691 input.f90
>> pw.x 00000000005E82F0 run_pwscf_ 80 run_pwscf.f90
>> pw.x 000000000046A963 MAIN__ 98 pwscf.f90
>> pw.x 000000000046A7A6 Unknown Unknown Unknown
>> ..
>> The QE6.3 works well in the same machine and same settings with QE 6.4. I
>> tried several machine and mpich2-intel and mpich2-gnu, and both were
>> not working but good for QE 6.3.
>> Thanks!
>> Shudong
>>
>> *S.D.Wang*
>> 王舒东
>> _______________________________________________
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>> users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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