[Pw_forum] Quantum Espresso installed, but examples not running

Alexander Eftimiades alexeftimiades at gmail.com
Sat Sep 11 22:56:35 CEST 2010


If I uninstall FFTW from synaptic then synaptic will uninstall quite a  
few other packages. What about:
Paolo Giannozzi's suggestion--
If this message appears for all errors, compile internal
FFTW instead of using external FFTW v.3: in make.sys
replace -D__FFTW3 with -D__FFTW and remove -lfftw3
from libraries, delete all objects that depend upon such
options (rm Modules/fft_scalar.o clib/fft_stick.o should
be enough),  recompile

I still do not know what you mean by "internal"? Do you mean Quantum  
Espresso comes with FFTW? Do I have to download/install anything or do  
I just set these variables in the make.sys file and compile as usual?

On Sep 11, 2010, at 4:49 PM, mohsen modaresi wrote:

>
> Perhaps it is not the best way, but i think if you uninstall FFTW   
> from Synaptic esperesso use internal FFTW.
>
>
> On Sun, Sep 12, 2010 at 1:15 AM, Alexander Eftimiades <alexeftimiades at gmail.com 
> > wrote:
> I am not sure what you mean by "internal." I installed libfftw3 and
> dev-libfftw3 from Synaptic Package manager.
>
> I am sorry, but I am still relatively new to linux, what should I do
> to compile "internal" FFTW?
>
> On Sep 11, 2010, at 4:17 PM, Paolo Giannozzi wrote:
>
> >
> > On Sep 11, 2010, at 20:15 , Alexander Eftimiades wrote:
> >
> >> [debian:13270] [ 1] /usr/lib/libfftw3.so.3 [0xb6f30d5c]
> >
> > if this message appears for all errors, compile internal
> > FFTW instead of using external FFTW v.3: in make.sys
> > replace -D__FFTW3 with -D__FFTW and remove -lfftw3
> > from libraries, delete all objects that depend upon such
> > options (rm Modules/fft_scalar.o clib/fft_stick.o should
> > be enough),  recompile
> >
> > P.
> > ---
> > Paolo Giannozzi, Dept of Physics, University of Udine
> > via delle Scienze 208, 33100 Udine, Italy
> > Phone +39-0432-558216, fax +39-0432-558222
> >
> >
> >
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
>
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