[QE-users] iotk error in conversion from binary to xml

[Sonu Kumar]

Thanks, Pietro for the information!!



*With kind regards,*

*S Kumar |  PhD.*


On Thu, Mar 12, 2020 at 6:01 PM Pietro Delugas <pdelugas at sissa.it> wrote:

> Dear Sonu Kumar
>
> Since version 6.3 the format of .dat files has changed and they are not
> compatible anymore with iotk.
>
> If you need to have the binary files in an exportable format you could
> recompile the program so that it uses the hdf5 format, see here
> <http://www.quantum-espresso.org/Doc/user_guide/node11.html#SECTION00034050000000000000>
> for more instructions
>
> I hope that helps
>
> Pietro
>
>
> On 12/03/20 05:45, Sonu Kumar wrote:
>
> Dear QE community,
>
> I am converting *.dat files in the *save directroes using the command:
> /home/code/q-e-qe-6.4.1/bin/iotk convert charge-density.dat
> charge-density.xml
>
> I am getting following error msg (I searched mailing list and found that
> earlier this command works:
> https://lists.quantum-espresso.org/pipermail/users/2010-February/015761.html
> )
>
> iotk: using /home/code/q-e-qe-6.4.1/bin/../bin/iotk.x executable
>
> ########################################################################################################################
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=1)
> # ERROR IN: iotk_tag_parse (iotk_misc.f90:999)
> # CVS Revision: 1.39
> # Wrong syntax in tag
> tag=�@W;�
> # ERROR IN: iotk_open_read (iotk_files.f90:639)
> # CVS Revision: 1.20
>
> ########################################################################################################################
>
> Any help will be appreciated.
>
>
>
> *With kind regards, *
>
> *S Kumar |  PhD. *
>
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