[gmx-users] Installing gmx_mpi

[Mark Abraham]

Hi,

What did you find about MPI in the "typical installation" section?

Mark

On Sat, Mar 17, 2018 at 12:22 AM Alex <alexanderwien2k at gmail.com> wrote:

> 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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