[QE-users] Error in routine read_xml_file

[hamed asadi]

Unfortunately they did not work. I even deleted the title and prefix and
checked the output address of tmp_dir and pw.x, the versions are the same.

On Fri, 11 Sep 2020, 00:13 Paolo Giannozzi, <p.giannozzi at gmail.com> wrote:

> Do examples work?
>
> On Wed, Sep 9, 2020 at 5:51 PM hamed asadi <hamedasadi70 at gmail.com> wrote:
>
>> Dear Paolo;
>> Both versions are 6.5.
>>
>> Hamed
>>
>> On Wed, 9 Sep 2020, 19:15 Paolo Giannozzi, <p.giannozzi at gmail.com> wrote:
>>
>>> Please verify that you are using the same versions of pw.x and gipaw.x
>>> to produce and read the xml file.
>>>
>>> Paolo
>>>
>>> On Wed, Sep 9, 2020 at 1:13 PM hamed asadi <hamedasadi70 at gmail.com>
>>> wrote:
>>>
>>>> dear all,
>>>> I am trying to run 'efg' calculation for quartz and working on VMware.
>>>> After scf calculation with mpirun and 2 cores, efg calculation lunched with
>>>> "mpirun -n 2 /home/hamed/qe-6.5/qe-gipaw/bin/gipaw.x -in <efg.in>
>>>> efg.out and unfortunately faced with following error:
>>>>
>>>> ---------------------------------------------------------------------------------------------
>>>>      Program GIPAW v.6.5 starts on  4Sep2020 at  8: 3:54
>>>>
>>>>      This program is part of the open-source Quantum ESPRESSO suite
>>>>      for quantum simulation of materials; please cite
>>>>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>>>>          "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
>>>>           URL http://www.quantum-espresso.org",
>>>>      in publications or presentations arising from this work. More details at
>>>>      http://www.quantum-espresso.org/quote
>>>>
>>>>      Serial version
>>>>
>>>>      ***** This is GIPAW git revision e4e5b4705a4bd05b622cb47ab228b3cc73e24bfb *****
>>>>      ***** you can cite: N. Varini et al., Comp. Phys. Comm. 184, 1827 (2013)  *****
>>>>      ***** in publications or presentations arising from this work.            *****
>>>>
>>>>      Parallelizing q-star over 1 images
>>>>
>>>>      Reading xml data from directory:
>>>>
>>>>      /home/hamed/Desktop/quartz/out/scf.savescf.save/
>>>>      Message from routine qexsd_readschema :
>>>>      xml data file /home/hamed/Desktop/quartz/out/scf.savescf.save/data-file-schema.x
>>>>
>>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>>      Error in routine read_xml_file (1):
>>>>      fatal error reading xml file
>>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>>
>>>>      stopping ...
>>>> -------------------------------------------------------
>>>> Primary job  terminated normally, but 1 process returned
>>>> a non-zero exit code.. Per user-direction, the job has been aborted.
>>>> -------------------------------------------------------
>>>> --------------------------------------------------------------------------
>>>> mpirun detected that one or more processes exited with non-zero status, thus causing
>>>> the job to be terminated. The first process to do so was:
>>>>
>>>>   Process name: [[5058,1],0]
>>>>   Exit code:    1
>>>> --------------------------------------------------------------------------
>>>>
>>>> The output directory cheeked and xml file is presented. here is the
>>>> input file:
>>>>
>>>> &inputgipaw
>>>> job = 'efg'
>>>> prefix = 'scf'
>>>> tmp_dir = '/home/hamed/Desktop/quartz/out/scf.save'
>>>> diagonalization = 'cg'
>>>> verbosity = 'high'
>>>> q_gipaw = 0.01
>>>> spline_ps = .true.
>>>> use_nmr_macroscopic_shape = .true.
>>>> Q_efg(1) = 1.000
>>>> Q_efg(2) = -2.558
>>>> /
>>>>
>>>> I will appreciate any helps in this subject.
>>>> Truly yours,
>>>> Hamed Asadi
>>>> KN Toosi university of technology
>>>> _______________________________________________
>>>> Quantum ESPRESSO is supported by MaX (
>>>> www.max-centre.eu/quantum-espresso)
>>>> users mailing list users at lists.quantum-espresso.org
>>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>>
>>>
>>>
>>> --
>>> 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
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
>>> )
>>> users mailing list users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> 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
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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