[DFTB-Plus-User] Fails to Execute dftb+(1.2.2) with G95(G95 BINARY; Linux x86-64 [64 bit DI]) compiler.

奥野 義人 okuno at ap.eng.osaka-u.ac.jp
Mon Feb 25 15:17:48 CET 2013


Dear Dr. Bálint Aradi
 
The precompiled binary helped me to execute "make test" successfully.
Thank you for helping me.

However, still I face the problem of "dftb+: command not found...".
How can I solve it?
If you have a time, would you navigate me to make dftb+ work?

Sincerely yours,

Yoshito Okuno

On 2013/02/25, at 18:56, Bálint Aradi wrote:

> Dear Yoshito,
> 
>> 
>> I found a problem while executing "make test".
>> What is wrong? The Fortran 95 Compiler(G95 BINARY; Linux x86-64 [64 bit DI]) installed 
>> in my system is not the correct version for running dftb+1.2.2?  
>> 
> 
> Could you try it with a different compiler (gfortran or ifort)? Or
> alternatively, could you try to run the autotest with the precompiled
> binary offered on the website? We do not use g95 for testing DFTB+ any
> more (I do not even have it locally here), but gfortran and ifort should
> work.
> 
>  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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