[gmx-users] mpi enabled gmx 4.5

라지브간디 rajiv at kaist.ac.kr
Mon Apr 15 18:43:38 CEST 2013

Dear gmx users,

I have installed the mpi (openmpi) enabled gmx4.5.5 version by following command line.It does installed without any errors. However, when i see the folder of installation it doesn't have any files under gromacs except bin (only has mdrun_mpi) and lib folder has lib files. I cant run the gromacs. what is the problem that causing this prob?

Used command line

./configure --enable-mpi --enable-float --with-fft=fftw3 --program-suffix=_mpi --prefix=/usr/local/gromacs --enable-float

make mdrun

make install-mdrun

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