[Pw_forum] Re: Pw_forum digest, Vol 1 #613 - 12 msgs

[Diego Moreno]

Eureka Thanks all, for you help for my problem whith intel PC,
compilation with ifc 8.1 and atlas from Axel
thanks Axel!!
_____________________________________________________
|Universidad Nacional de Colombia
|Grupo de Química Teorica
|diegovmorenor at gmail.com
|dvmorenor at unal.edu.co

On 4/15/05, Axel Kohlmeyer <axel.kohlmeyer at theochem.ruhr-uni-bochum.de> wrote:
> 
> On Fri, 15 Apr 2005, Diego Moreno wrote:
> 
> DM> Thanks for response; (Paolo Giannozzi) and (Lilong Li)
> DM>   running pw.x as:  /opt/espresso-2.1.3/bin/pw.x
> DM>
> DM> Paolo write:
> DM> > or a different compiler: g95 is rather usable, and I think it is now possible
> DM> > to load mkl with g95  (3.5.0) 4.0.0 no work with pw
> DM>
> DM> I configure
> DM> ./configure F90=g95 LIBDIRS="/opt/intel/mkl721/lib/32 /usr/lib /usr/include"
> 
> dear diego,
> i trust you have done a 'make clean; make all' in between so you
> have new binaries.
> 
> to rule out whether MKL is the culprit, you could compile the
> code with the internal BLAS/LAPACK by setting MYLIB to blas_and_lapack
> or try the ATLAS binaries from
> http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html#atlas
> 
> for them you need to set MYLIB to empty and add (assuming you have p4)
> -L/some/path/to/atlas -latlas_p4 to LIBS
> 
> regards,
>         axel.
>