[gmx-users] gromacs 4.6.2 MPI distribution location problems

Hi All, I installed gromacs 4.6.2 using the following cmake options: cmake -DCMAKE_INSTALL_PREFIX=/home/kaushik/gromacs_executable/gromacs-new-mpi -DGMX_MPI=on After successful installation, when I run a test with mpirun mdrun, the program breaks with the following error: ---

[gmx-users] Re: gromacs 4.6.2 MPI distribution location problems

Note that this works fine with 4.5.5. when I installed using: ./configure CPPFLAGS="-I/home/kaushik/fftw-new/include" LDFLAGS="-L/home/kaushik/fftw-new/lib" --enable-mpi --prefix /home/kaushik/gromacs_executable/gromacs-old ldd mdrun on the 4.5.5 version correctly points to the fftw and the mpi