Error on open xml file: options.xml: iostream error

[niladr...@gmail.com]

Hi

I have recently installed votca-ctp on a publicly shared cluster. I am trying to run votca-ctp's tool- pdb2map . But upon compiling with the option.xml there, I get this error.  Can anyone please help me in understanding why this error is occuring and what should I do. 

Error on open xml file: options.xml: iostream error

[niladr...@gmail.com]

Hello Users

I am trying to use VOTCA-ctp to generate the transfer in organic semiconductors. I am a beginner with the software. For a test run I tried to use the ctp_tool's pdb2map function but came up with this error. Can someone please help me with this ? I tried to map a Thiophene.pdb file

Error on open xml file: options.xml: iostream error

With heartfelt thanks and warm regards

Niladri Bhattacharjee

[Denis Andrienko]

Hi,

Can you be a bit more specific and provide the exact command and the input files? 

Best,

Denis

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[Niladri Bhattacharjee]

Hi Denis

Thank you for getting back to me. Please find the attached files . My plan is to compute the electron and hole transfer through Votca for organic semiconductors. This is just a test run to see if the installation was correct. But I'm clueless with this error. 

Thanks and regards

Niladri Bhattacharjee

[Denis Andrienko]

Hi Niladri,

Can you post the commands you are running and the output on the screen?

Thanks,

Denis