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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