[Pw_forum] Error running pw.x

[Axel Kohlmeyer]

On 5/11/06, Erik Ylvisaker <eylvisaker at physics.ucdavis.edu> wrote:

erik,

this is a (well) known problem. please check out the manual or the
following URL:
http://www.democritos.it/pipermail/pw_forum/2006-February/003662.html

regards,
    axel.
>
> Hi, I am trying to run pw on an Intel Itanium system.  I was able to compile
> it without errors, but when I run it I get the following message:
>
> ##################
>      nbndx  =     7  nbnd   =     7  natomwfc =    16  npwx   =     736
>      nelec  =   5.00  nkb   =    13  ngl    =      92
>
>      Initial potential from superposition of free atoms
>
>      starting charge    4.99685, renormalised to    5.00000
>      Starting wfc are atomic
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from cfts_3 : error #         1
>      routine called by wrong architecture
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
> ##################
>
>
> from looking at the cfts_3.f90 file this routine is apparently meant for
> IBM : essl library or NEC sx4/5: GPFA library.  Does anyone know what I need
> to modify in the make.sys (or another?) file to get it to not include this
> file?
>
> I tried removing the compile flag -D__USE_INTERNAL_FFTW but that gave an
> error on an #include <fftw.h> line.  Also __LINUX64 is defined, which I
> think is correct.
>
> ~Erik Ylvisaker
>
>


-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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