[CPMD-list] Help on compiling PC-PGI-MPI(again)

[Axel Kohlmeyer]

On Tue, 14 Aug 2007, anucha yangthaisong wrote:

dear anucha,


AY> Dear Dr Axel and all,
AY> 
AY> Many thanks for your fast response.
AY> 
AY> >dear anucha,
AY> >this indicates, that your MPI library was built with gfortran.
AY> >fortran libraries are generally not compatible between different
AY> >fortran compiles, so if your MPI is built with gfortran, you also
AY> >have to use gfortran to compile CPMD (or compile your MPI with
AY> >PGI which i do not recommend. in general, i recommend using OpenMPI
AY> >instead of MPICH regardless).
AY> 
AY> By the way, may I ask a question. Sorry if it's not a smart one. Is it
AY> possible to install "gfortran" while I am just a user
AY> not a root/superuser ?. If yes, how ? The system we have has just been

in principle it is possible. compiling compilers from sources is 
a bit tricky though and not recommended unless you have some experience.
for details see: http://gcc.gnu.org/install/ 

you may still run into the problem, that the version of
of the sources is not compatible to the mpi library
installed. i would generally consider it easier to compile
your own MPI library (see http://www.open-mpi.org/ )

AY> built and it's just hard to communicate among users and root.
AY> In fact, I 've asked people there to install "gfortran" for a few
AY> weeks. The relevant process just doesn't start.

hey, i know _that_ feeling. ;-) 
one option is to set in front of the office of the responsible 
person with a big stick in your hand and not going away until
the package is installed. it would only take a few minutes on
normal machines as the distribution should carry it.

good luck and cheers,
   axel.

AY> 
AY> Regards,
AY> Anucha
AY> 
AY> ------------------------------------------------------------------------------------------------------------------
AY> Dr Anucha Yangthaisong
AY> Department of Physics,
AY> Ubonrajathanee University,
AY> THAILAND 34190.
AY> 

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