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

[Aaron Friesz]

6.5

On Thu, Dec 3, 2020 at 10:49 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> 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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