[Octopus-devel] problems with libxc in Blue Gene

[David Strubbe]

Joseba,

You should look at the file config.log from Octopus, where it will give more
details about what went wrong in trying to find libxc.

David

On Thu, Mar 25, 2010 at 8:25 AM, Alberto Castro <acastro at bifi.es> wrote:

> Hi,
>
> The following is probably not  useful in your case, but just in case:
> in the script I use to compile octopus (and now libxc), I had some
> troubles also with octopus not finding libxc until I realized that I
> was not doing "make install"
> for libxc, only for octopus.
>
> Cheers, Al.
>
> 2010/3/25 Joseba Alberdi <alberdi at hotmail.es>:
> > Hello,
> >
> > I'm Joseba and I have to work with Octopus in Jugene (a Blue Gene
> machine).
> > In order to compile libxc I have to put --disable-shared --enable-static
> > because otherwise it is unable to compile
> > (http://www.open-mpi.org/faq/?category=building#build-ibm-compilers).
> But
> > when I compile and try to configure Octopus it says that it is unable to
> > find the libxc library. Even if I put --disable-shared --enable-static in
> > the Octopus configure file it is not able to finish the configuration.
> >
> > I'm sorry for starting new thread with this topic but it is because I'm
> new
> > in this list and I know there were more about this topic.
> >
> > Thank you in advance.
> >
> >
> > Joseba
> >
> > export FC_INTEGER_SIZE=4;
> > export CC_FORTRAN_INT=int;
> > export CC=mpixlc_r;
> > export CFLAGS='-g -O3 -qarch=450d';
> > export FC=mpixlf90_r;
> > export FCFLAGS='-g -O3 -qarch=450d -qxlf90=autodealloc -qessl -qsmp=omp
> > -qsuffix=f=f90';
> >
> > ./configure --prefix=$HOME/software/libxc --disable-shared
> --enable-static
> > #!/bin/bash
> >
> > export CURRENT=$PWD
> > module load gsl;
> > module load lapack;
> >
> > cd ..
> > autoreconf -i;
> > cd $CURRENT
> >
> > export FC_INTEGER_SIZE=4;
> > export CC_FORTRAN_INT=int;
> > export CC=mpixlc_r;
> > export CFLAGS='-g -O3 -qarch=450d';
> > export FC=mpixlf90_r;
> > export FCFLAGS='-g -O3 -qarch=450d -qxlf90=autodealloc -qessl -qsmp=omp';
> > export LIBS_BLAS="-lesslsmpbg -L/opt/ibmmath/essl/4.4/lib -lesslbg";
> > export LIBS_LAPACK="-L$LAPACK_LIB -llapack";
> > export LIBS_FFT="-L/bgsys/local/fftw3/lib/ -lfftw3 -lm";
> > ../configure --prefix=$HOME/software/octopus \
> >    --host=powerpc32-unknown-linux-gnu \
> >    --build=powerpc64-unknown-linux-gnu \
> >    --disable-gdlib \
> >    --with-gsl-prefix=$GSL_DIR \
> >    --with-libxc-prefix=$HOME/software/libxc \
> >    --enable-mpi --enable-openmp;
> >
> > _______________________________________________
> > Octopus-devel mailing list
> > Octopus-devel at tddft.org
> > http://www.tddft.org/mailman/listinfo/octopus-devel
> >
> >
>
>
>
> --
> ===============================
> Dr. Alberto Castro
>
> Instituto de Biocomputación y Física de Sistemas Complejos (BIFI),
> Edificion I+D,
> Mariano Esquilor s/n,
> 50018 Zaragoza, España.
>
> Tel:   +34 976761000 (extension 5411)
> Fax:   +34 976762990
> skype: alberto_c_barrigon
> email: acastro at bifi.es
> ===============================
>
> _______________________________________________
> Octopus-devel mailing list
> Octopus-devel at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-devel
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.tddft.org/pipermail/octopus-devel/attachments/20100325/ab619c92/attachment.html