[QE-users] pp.x error accessing restart file

Aaron Friesz friesz at usc.edu
Thu Dec 3 19:06:33 CET 2020


Hello,

I am attempting to run pp.x to produce the signed psi^2 plot.  I'm getting
an error regarding access to the restart file, however, I'm not aware that
I'm asking the program to access the file.  The CRASH file contains the
following:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from read_wfc  : error #         2
     cannot open restart file
/scratch/friesz/QE_GaAs/1-Tue_2020Dec01_0948/pwscf.save/wfc1 for reading
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I would like to know why the program is trying to access this file and why
it can't access this file.  The input to pp.x follows.


 &INPUTPP
                      prefix = 'pwscf' ,
                      outdir =
'/scratch/friesz/QE_GaAs/1-Tue_2020Dec01_0948' ,
                     filplot = 'psi2' ,
                    plot_num = 7,
                   kpoint(1) = 1,
                    kband(1) = 1,
                    kband(2) = 8,
                       lsign = .true. ,
 /
 &PLOT
                       nfile = 1 ,
                   weight(1) = 1.0,
                     fileout = '.xsf' ,
                       iflag = 3 ,
               output_format = 5 ,
 /


Any help is appreciated.

Aaron Friesz
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