[Pw_forum] Quantum Espresso installed, but examples not running

[Alexander Eftimiades]

I should then mention that everything used to compile and execute  
Quantum Espresso was built for Debian because it was installed using  
synaptic package manager. The large library of packages Synaptic  
provides is exactly the reason I use Debian.
I just updated all my software recently so I am quite sure I am using  
the latest version of MPI, gfortran, etc Synaptic has to offer.

If you still think my compilers are the problem--any ideas on how I  
could go about fixing this. I scoured the web for free ab initio  
quantum chemistry software that can calculate phonon dispersion  
relations and this definitely seemed to be one of the best. I would  
really like to get this running--especially since my projects are not  
very different than some of the examples provided.

On Sep 11, 2010, at 4:08 PM, Paolo Giannozzi wrote:

> On Sep 11, 2010, at 20:15 , Alexander Eftimiades wrote:
>
>> I hope I came to the right place to ask this question.
>
> you did
>
>> If there is a pointer in there I missed please tell me.
>
> 2.7.1
> [...] If you get mysterious errors in the provided tests and
> examples: your compiler, or your mathematical
> libraries, or MPI libraries, or a combination thereof, is very likely
> buggy. Although the presence of subtle
> bugs in QUANTUM ESPRESSO that are not revealed during the testing
> phase can never be ruled out,
> it is very unlikely that this happens on the provided tests and
> examples.
>
> 10.1.0.9 pw.x crashes with segmentation fault or similarly obscure
> messages
> Possible reasons:
>
>     * too much RAM memory or stack requested (see next item).
>     * if you are using highly optimized mathematical libraries,
> verify that they are designed for your hardware.
>     * If you are using aggressive optimization in compilation,
> verify that you are using the appropriate options for your machine
>     * The executable was not properly compiled, or was compiled on a
> different and incompatible environment.
>     * buggy compiler or libraries: this is the default explanation
> if you have problems with the provided tests and examples.
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum