[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
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
--
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20201203/10fb0985/attachment.html>
More information about the users
mailing list