[QE-users] RE error while run GWW/head.x

Amadeus 760158264 at qq.com
Sat Mar 20 09:57:55 CET 2021


Dear qe user
I'm repeating the example provided by qe-6.7/GWW/example02, in step 2, head.x can't operate properly. head.out show that:
 
   Program PHONON v.6.7MaX starts on 20Mar2021 at 14:40:36 


     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


     Parallel version (MPI), running on     4 processors


     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =       4


     Ultrasoft (Vanderbilt) Pseudopotentials


     Reading xml data from directory:


     /lustre/home/rencong/qe-6.7/tempdir/si.save/


     IMPORTANT: XC functional enforced from input :
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         124     124     36                 2096     2096     340
     Max         125     125     37                 2097     2097     343
     Sum         497     497    145                 8385     8385    1365
 
     Reading collected, re-writing distributed wavefunctions
     Message from routine ph_restart_set_filename :
     cannot open file for reading or writing


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine initialize_grid_variables (1):
     problems reading u
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