[DFTB-Plus-User] Errors in installation of DFTB+

veerpal kaur dhiman v.veerpal.h at gmail.com
Thu Jun 26 11:13:31 CEST 2014


Gud afternoon sir,

Sir i have installed DFTB+ and now i am trying to run it. As given in the
DFTB+recipes, Release 11-09 i have created the input file named
"dftb_in.hsd" same as the example given in DFTB+ Recipes in the directory
named "tests" and put the slater koster set mio-0-1 in the same directory.
After that i opened the terminal and given the command "cd tests" to change
the directory to the same in which input file is created. And then i given
the command dftb+ without any arguments but nothing happened i didn't got
the same output as in DFTB+ Recipes. I also tried the command ./dftb+
instead of only dftb+. But i am unable to run DFTB+ program. What have i
done wrong?  Where is my mistake? Please tell me if you have any idea

Waiting for your valuable help.
Thanking you,
Yours faithfully,
Veerpal Kaur,
Physics Department,
Panjab University,
Chandigarh.



On Tue, May 27, 2014 at 4:15 PM, Bálint Aradi <
balint.aradi at bccms.uni-bremen.de> wrote:

>
> On 05/27/2014 11:31 AM, veerpal kaur dhiman wrote:
> > Dear sir,
> >
> >         I am not able to sort out the errors which occured during the
> > installation of DFTB+. I am trying to install it in Ubuntu OS. I am
> > using make.x86_64-linux-gfortran file and the make file i used is as
> > follows:
>
> > /usr/bin/ld: cannot find -lf77blas
> > collect2: ld returned 1 exit status
>
> You apparently do not have the appropriate library (blas). But, please,
> do yourself the favour and use the precompiled binary! It will work
> without compilation and will be definitely faster as the one you try to
> link against legacy F77 BLAS.
>
>   Best regards,
>
>   Bálint
>
> --
> 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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>
>
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