[DFTB-Plus-User] help running the first calculation!

[Bálint Aradi]

Dear Vaneet

it seems, that you have ended up with the wrong gsl version (2.7.1 
instead of 2.7). Can you make a fresh install in a new 
Miniconda/Mambaforge instance? I've just tried it, and I get gsl 2.7 
installed along with dftb+ 22.2. I have issued

mamba install dftbplus=22.2=nompi_*

within a fresh mambaforge installation.

Best regards,

Bálint

On 08.02.23 06:24, Vaneet Saini wrote:
> Dear all,
> 
> I am trying to run my first calculation on dftb+ but I have encountered 
> an error. I hope you can help me resolve the issue.
> 
> Here is the info:
> 
> System: Ubuntu 20.04.5 LTS
> 
> dftb+ version: dftbplus=22.2=nompi_*
> 
> Error while running the dftb_in.hsd file:
> 
> "dftb+: error while loading shared libraries: libgsl.so.25: cannot open 
> shared object file: No such file or directory"
> 
> The default gsl library that got installed along with dftb+ in the 
> virtual env is gsl 2.7. Please find the attached image.
> 
> I would greatly appreciate any help in resolving this error.
> 
> Regards,
> 
> Vaneet
> 
> 
> ᐧ
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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