[gmx-users] How to Install GMX V3.3.1 with Intel fortran compiler?

[liu xin]

Dear GMX-users:

I've searched the list but couldnt find something usful for me, and this is
how I did it so far :

source /opt/intel/fce/version/bin/ifortvars.sh
export F77=ifort
export CPPFLAGS=-I/home/xin/programs/fftw312/include
export LDFLAGS=-L/home/dong/programs/fftw312/lib
configure --prefix=/home/xin/programs/gromacs331 --enable-fortran
--enable-mpi
make mdrun
make install-mdrun

after the installation, I tried to do the mdrun:
mpirun -np 2 /home/xin/programs/gromacs331/mdrun -s ...
and then I got the following error message:
error while loading shared libraries: libsvml.so: cannot open shared object
file: No such file or directory

The OS of my pc is SUSE 9.3. And I found that the "missing" file, libsvml.so,
was in /opt/intel/fce/version/lib
Is there something wrong with my steps? or shoould I add some FFLAGS?
I am not very familiar with fortran and Linux, any suggestions will be
appreciated!

Xin Liu
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