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

[Pietro Delugas]

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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