[gmx-users] mpi enabled gmx 4.5

[Justin Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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