[Pw_forum] Error in charge difference

[Paolo Giannozzi]

The error message you report does not comtain the most informative
part. Anyway: at line 119 of file */plot_io.f90 likely there is a
"read" instruction that doesn't find what it expects. Try to figure
out why.

Paolo

On Tue, Aug 2, 2016 at 12:24 AM, Ozan Dernek <ozandernek at gmail.com> wrote:
> Hello,
>
> I would like to run a charge difference calculation but the calculation
> fails. I am using the input file as given below:
>
> &inputpp
> /
> &plot
>  nfile=3,
>   filepp(1)="charge.whole",
>  filepp(2)="charge.surf",
>  filepp(3)="charge.mol",
>  weight(1)=1,
>  weight(2)=-1,
>  weight(3)=-1,
>  iflag=3,
>  output_format=5,
>  fileout="eth_bind_au_ni.xsf"
> /
>
>
> It gives an error file as:
>
> Image              PC                Routine            Line        Source
> pp.x               00000000009685B7  Unknown               Unknown  Unknown
> pp.x               00000000009661D7  Unknown               Unknown  Unknown
> pp.x               000000000088316E  read_io_header_           119
> plot_io.f90
> pp.x               000000000040C584  chdens_                   236
> chdens.f90
> pp.x               0000000000406463  MAIN__                     44
> postproc.f90
> pp.x               0000000000405CB6  Unknown               Unknown  Unknown
> libc.so.6          00000039D281D994  Unknown               Unknown  Unknown
> pp.x               0000000000405BB9  Unknown               Unknown  Unknown
>
>
>
> I have checked the charge files and did not recognize any problem. I have
> tried Quantum Espresso version 5.1 and 5.3.0. Both produce the same error
> file. How can i get rid of this problem ?
>
> Regards,
>
> Ozan Dernek,
> Msc. Student
> Middle East Technical Univesity, Turkey
>
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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