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
--
========================================
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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