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

Paolo Giannozzi p.giannozzi at gmail.com
Thu Dec 3 19:48:38 CET 2020


QE version?

On Thu, Dec 3, 2020 at 7:07 PM Aaron Friesz <friesz at usc.edu> wrote:

> 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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-- 
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
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