6.5 On Thu, Dec 3, 2020 at 10:49 AM Paolo Giannozzi <[email protected]> wrote:
> QE version? > > On Thu, Dec 3, 2020 at 7:07 PM Aaron Friesz <[email protected]> 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 >> <https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!8H6QC7gCatWCrmWF5aQj2UA5YuKPc9dDesyves7Tp0gVqHNLlCY129Mb4NeLYg$> >> ) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users >> <https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!8H6QC7gCatWCrmWF5aQj2UA5YuKPc9dDesyves7Tp0gVqHNLlCY129PJh_I9WQ$> > > > > -- > 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 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX ( > https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!8H6QC7gCatWCrmWF5aQj2UA5YuKPc9dDesyves7Tp0gVqHNLlCY129Mb4NeLYg$ > ) > users mailing list [email protected] > > https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!8H6QC7gCatWCrmWF5aQj2UA5YuKPc9dDesyves7Tp0gVqHNLlCY129PJh_I9WQ$
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