Dear GMX-users:<br><br>I've searched the list but couldnt find something usful for me, and this is how I did it so far :<br><br>source /opt/intel/fce/version/bin/ifortvars.sh<br>export F77=ifort<br>export CPPFLAGS=-I/home/xin/programs/fftw312/include
<br>export LDFLAGS=-L/home/dong/programs/fftw312/lib<br>configure --prefix=/home/xin/programs/gromacs331 --enable-fortran --enable-mpi<br>make mdrun<br>make install-mdrun<br><br>after the installation, I tried to do the mdrun:
<br>mpirun -np 2 /home/xin/programs/gromacs331/mdrun -s ...<br>and then I got the following error message:<br>error while loading shared libraries: libsvml.so: cannot open shared object file: No such file or directory<br>
<br>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<br>Is there something wrong with my steps? or shoould I add some FFLAGS? <br>I am not very familiar with fortran and Linux, any suggestions will be appreciated!
<br><br>Xin Liu<br>