[gmx-users] mpi enabled gmx 4.5
jalemkul at vt.edu
Mon Apr 15 18:48:41 CEST 2013
On 4/15/13 12:43 PM, 라지브간디 wrote:
> 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
You only have mdrun because you only installed mdrun (which is correct, since no
other programs are MPI-aware). If you want the rest of the tools, configure
without MPI support and proceed with make, then make install. All of these
steps are described on the website.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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