VOTCA running error

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Pratyasha Bhardwaj

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Jan 8, 2025, 12:47:10 AMJan 8
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Dear Users,

I had recently got VOTCA installed in our lab cluster. I had tried running the ibi_lammps folder under the spce tutorial to check if the installed software is actually working. However, I get an error in the 'check_csg_xml.py' and the run terminates with the message: # ERROR:                                                                                                                                                                                                                                                                    
# do_external: subscript       

 /scratch/uqidar/phd/qiz228057/VOTCA/votca_install/share/votca/scripts/inverse/check_csg_xml.py /scratch/uqidar/phd/qiz228057/VOTCA/votca-2023-rc.1/csg-tutorials/spce/ibi_lammps/settings.xml /scratch/uqidar/phd/qiz228057/VOTCA/votca_install/share/votca/xml/csg_defaults.xml #
# (from tags check csg_xml) failed                                                                                                                                                                                                                                                 
Please find the attached log file below. 
Does this error have to do with the python versions? What does the error really mean?

Thank you
Sincerely,
Pratyasha
inverse.log

Christoph Junghans

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Jan 8, 2025, 10:46:26 AMJan 8
to vo...@googlegroups.com
The actual error is "UnicodeDecodeError: 'ascii' codec can't decode
byte 0xd1 in position 2: ordinal not in range(128)"
I am not sure what this means, your python version (3.6) might be too
old, but maybe one of the python experts here knows more.

Christoph


>
> Thank you
> Sincerely,
> Pratyasha
>
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Christoph Junghans
Web: http://www.compphys.de
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