[QE-users] error in postprocessing with dos.x and projwfc.x QE 7.4.1

giuseppe.mattioli at mlib.ism.cnr.it giuseppe.mattioli at mlib.ism.cnr.it
Mon Dec 22 14:02:20 CET 2025


Dear users and developers
I've completed, apparently with no error, a huge calculation with QE 
7.4.1. exiting with proper message

      PWSCF        :  20d15h10m CPU  22d 8h42m WALL


    This run was terminated on:   6:47: 8  22Dec2025

=------------------------------------------------------------------------------=
    JOB DONE.
=------------------------------------------------------------------------------=

Now I want to postprocess the results, as I've done thousands of times, 
using dos.x and projwfc.x. I've not tried with pp.x, yet.
However, dos.x and projwfc.x stop and complain:

This is dos.x

      Program DOS v.7.4.1 starts on 22Dec2025 at 13:57:17

      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);
          "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
           URL http://www.quantum-espresso.org",
      in publications or presentations arising from this work. More 
details at
      http://www.quantum-espresso.org/quote

      Parallel version (MPI), running on    48 processors

      MPI processes distributed on     1 nodes
      R & G space division:  proc/nbgrp/npool/nimage =      48
      877109 MiB available memory on the printing compute node when the 
environment starts


      Reading xml data from directory:

      
/scratch/giuseppe/ag+mgo+pc/ag+mgo+cupc/run/bck_tmp/ag+mgo+cupc-otop20-vdwdf2ahbr-4l-esm-aocc.save/
      Message from routine qes_read:parallel_infoType:
      error reading nprocs
      Message from routine qes_read:parallel_infoType:
      error reading nthreads
      Message from routine qes_read:parallel_infoType:
      error reading ntasks
      Message from routine qes_read:parallel_infoType:
      error reading nbgrp
      Message from routine qes_read:parallel_infoType:
      error reading npool
      Message from routine qes_read:parallel_infoType:
      error reading ndiag
      Message from routine qexsd_readschema :
      error in parallel_info  of xsd data file

  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine read_xml_file (3):
      fatal error reading xml file
  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...

and this is the analogous behavior of projwfc.x


      Program PROJWFC v.7.4.1 starts on 22Dec2025 at 13:57:19

      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);
          "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
           URL http://www.quantum-espresso.org",
      in publications or presentations arising from this work. More 
details at
      http://www.quantum-espresso.org/quote

      Parallel version (MPI), running on    48 processors

      MPI processes distributed on     1 nodes
      R & G space division:  proc/nbgrp/npool/nimage =      48
      877037 MiB available memory on the printing compute node when the 
environment starts


      Reading xml data from directory:

      
/scratch/giuseppe/ag+mgo+pc/ag+mgo+cupc/run/bck_tmp/ag+mgo+cupc-otop20-vdwdf2ahbr-4l-esm-aocc.save/
      Message from routine qes_read:parallel_infoType:
      error reading nprocs
      Message from routine qes_read:parallel_infoType:
      error reading nthreads
      Message from routine qes_read:parallel_infoType:
      error reading ntasks
      Message from routine qes_read:parallel_infoType:
      error reading nbgrp
      Message from routine qes_read:parallel_infoType:
      error reading npool
      Message from routine qes_read:parallel_infoType:
      error reading ndiag
      Message from routine qexsd_readschema :
      error in parallel_info  of xsd data file

  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine read_xml_file (3):
      fatal error reading xml file
  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...

What can I do? I'm a bit nervous because the main calculation ran for 22 
days...
Thank you in advance for your attention and for hints and tips
Giuseppe



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