Hi Frank,
One other workaround is to build your own MPI and put it in a local
directory you have access to, which is quite easy to do. My MPI of choice
is typically MPICH2 because it's simple to install and it seems like a clean
package to me. Just run
./configure F77=gfortran F90=gfortran CC=gcc CXX=g++
--prefix=/directory/you/own/
and then
make && make install
and you'll have an MPI ready to go (fairly quickly). Then you can use the
mpif90 you built to build Amber (you'll just have to change gfortran to
mpif90 in config.h).
Good luck!
Jason
On Wed, Sep 8, 2010 at 10:00 AM, Frank Thommen <
structures-it.embl-heidelberg.de> wrote:
> Hi Peter,
>
> > On CentOS 4.6, there is a Gnu Fortran compiler available:
> /usr/bin/gfortran.
> > If it is not available, install the following RPMs depending on the
> > architecture of your systems:
> > gcc4-gfortran-4.1.2-14.EL4.x86_64.rpm
> > gcc4-gfortran-4.1.2-14.EL4.i386.rpm
> > libgfortran-4.1.2-14.EL4.i386.rpm
> > libgfortran-4.1.2-14.EL4.x86_64.rpm
>
> Thanks, but the problem is an other one. Apparently Amber must be
> compiled with the same compiler as MPI. MPI on our cluster is compiled
> with g77, whereas Amber cannot be compiled with g77.
>
> frank
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Sep 08 2010 - 07:30:07 PDT
