[QE-users] Error in routine read_xml_file

[hamed asadi]

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
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