Problem with xtp tutorials.

[Debapriya Chaudhuri]

Dear Votca users,

I am very new to this application. I am trying to run the xtp tutorials to get an idea. I am using xtp_tools, version 1.6.2, votca_csg, version 1.6.2, votca_tools, version 1.6.2. 

However while executing the command for the first tutorial " xtp_tools -c job_name=methane -t 2 -e dftgwbse > dftgwbse.log"

I get the following error : error parsing command line: unrecognised option '-c'. 

When I execute the command xtp_tools -h I see that -c and -p is missing from the list of allowed tools. Is there anything I am missing or is it just an old version that isn't compatible with the tutorial? Below is the list of options that I get when xtp_tools -h is executed for the installed version.

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 VOTCA (http://www.votca.org)   
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please submit bugs to bu...@votca.org

xtp_tools, version 1.6.2  (compiled Nov  8 2021, 12:22:22)
votca_csg, version 1.6.2  (compiled Nov  8 2021, 11:36:43)
votca_tools, version 1.6.2  (compiled Nov  8 2021, 10:05:51)
Runs excitation/charge transport tools
Allowed options:
  -h [ --help ]                 display this help and exit
  --verbose                     be loud and noisy
  --verbose1                    be very loud and noisy
  -v [ --verbose2 ]             be extremly loud and noisy
  -o [ --options ] arg          calculator options
  -t [ --nthreads ] arg (=1)    number of threads to create

Tools:
  -e [ --execute ] arg        List of tools separated by ',' or ' '
  -l [ --list ]               Lists all available tools
  -d [ --description ] arg    Short description of a tool

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Any help is very much appreciated. I need to sort this out quickly as I need to use this for a grant application. I sincerely thank you in advance for time and prompt response.

Regards

Dr. Debapriya Chaudhuri

Research Fellow

School of Physics

Trinity College Dublin

Dublin 02, Ireland

[Jens Wehner]

Hello,

I implemented that feature and I am pretty certain that it was in  Version 2022. The older versions also work but then you have to use the `-o` option with an .xml file, 

I recommend installing the new votca version. Sorry for the inconvience.

Cheers Jens

[Debapriya Chaudhuri]

Hello,

Thank you so much for the prompt response. I will update the installed VOTCA to the 2022 version and work through the tutorials. In case I face any issues I shall write in this thread. 

To have a quick check, can you tell the command to execute with the "-o" option with an XML file? I want to run a simple example to check if any other dependencies are missing.

Kind regards

Debo

[Jens Wehner]

actually in some older version you can try `-n methane` and it should work.

Try that first

Cheers Jens