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

[Vaneet Saini]

Hi Bálint,

Although the fresh install didn't help, I downgraded gsl 2.7.1 to 2.7.0
manually using conda install gsl=2.7.0.
It works fine now, thanks for your help.

Regards,
Vaneet

On Wed, Feb 8, 2023 at 1:15 PM Bálint Aradi <aradi at uni-bremen.de> wrote:

> 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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> > DFTB-Plus-User at mailman.zfn.uni-bremen.de
> >
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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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ᐧ
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