[gmx-users] Installing gmx_mpi

[Alex]

Hi Mark,

Thanks for your response.

What I can find linked with mpi in the INSTALL file is below, which I is
unclear for me.


If you wish to run in parallel on multiple machines across a network,
you will need to have

* an MPI library installed that supports the MPI 1.3
  standard, and
* wrapper compilers that will compile code using that library.

Further help would be highly appreciated.


Cheers,
Alex


On Fri, Mar 16, 2018 at 7:10 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> The "typical installation" section covers the one thing you need to do in
> this case... is it unclear?
>
> Mark
>
> On Fri, Mar 16, 2018 at 11:55 PM Alex <alexanderwien2k at gmail.com> wrote:
>
> > Dear all,
> >
> > I have successfully installed gromacs 2018 in my opensuse 42.3 exactly
> > following the remedy provided in the INSTALL file as below:
> >
> >    tar xfz gromacs-2018.tar.gz
> >    cd gromacs-2018
> >    mkdir build
> >    cd build
> >    cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
> >    make
> >    make check
> >    sudo make install
> >    source /usr/local/gromacs/bin/GMXRC
> >
> > I have openmpi-2.1.1 and gcc-4.9.4 installed on my PC which has 32 cpu's
> > (cat /proc/cpuinfo | grep processor | wc -l give 32).
> >
> > Now, I was wondering how (which lines of commands) I should continue to
> > have the gmx_mpi version on my PC. I read what has been suggested in the
> > INSTALL file but I could not understand.
> >
> > Thank you.
> > Cheers,
> > Alex
> > --
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