[DFTB-Plus-User] Complied dftb-plus successfully, but can not invoke it

[Marcelo Zimmer]

Dear WU Xing,

Have you updated your environment variables in order to contain the path
where dftb+ is saved? It can be done by adding lines like these:

        export DFTB=/opt/DFTFB-Plus
        export PATH=$PATH:/opt/DFTFB-Plus/x86_64-linux-ifort


Note that the PATH must contain the directory which contains the binary (and
you must change the path above in order to satisfy your installation
directory). Otherwise, you'll have to specify the entire path every time you
run the dftb+, for instance:

*marcelo at azteca:~$* /opt/DFTFB-Plus/x86_64-linux-ifort/dftb+

I hope this will help you. Best regards,

Marcelo Zimmer

On Sat, Oct 25, 2008 at 12:44, #WU XING# <WU0008NG at ntu.edu.sg> wrote:

>  Dear all dftb-plus users:
>
>
>
> I am a new user on dftb-plus. I followed the howto "compiling", complied
> the dftb+ successfully, and run the autotest script successfully. Everything
> was exactly the same as the compiling file says.
>
>
>
> Then I moved to the next howto "The first calculation with dftb+", I
> downloaded the script, and followed exactly the as it indicated. However, I
> could not invoke dftb+. I did in in the directory containing dftb_in.hsd.
> And the error reports was:
>
>
>
> -bash: dftb+: command not found
>
>
>
> Why my test runs well, but can not invoke it? Did I miss something?
>
>
>
> Sincerely Yours
>
> ***********************************************
> WU Xing (Ms.)
> PO Box 09-12
> 50 Nanyang Crescent,
> Singapore, 637598
> ***********************************************
>
>
>
> _______________________________________________
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> DFTB-Plus-User at dftb-plus.info
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>
>


-- 
===================================================
                               Marcelo Zimmer S. Flores
                                 (PhD Physics Student)

Address:
       Universidade Estadual de Campinas - UNICAMP
       Instituto de Fisica Gleb Wataghin - IFGW
       Grupo de Solidos Organicos e Novos Materiais - GSONM
       Departamento de Fisica Aplicada (DFA) - Room 61
       Campinas - Sao Paulo - Brazil
       13083-970
       Caixa Postal: 6165
       zimmer at ifi.unicamp.br
===================================================
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