[gmx-users] gromacs build options

[Mark Abraham]

Yep. The build system notices that MPI is available, and you will see that
it builds gmx_mpi, rather than gmx. gmx_mpi -version will confirm that the
MPI library is not the built-in thread MPI.

Mark

On Sat, Oct 8, 2016 at 4:59 PM Mahmood Naderan <mahmood.nt at gmail.com> wrote:

> ​OK. I ran
>
> /share/apps/computer/cmake-3.2.3-Linux-x86_64/bin/cmake ..
> -DCMAKE_C_COMPILER=/share/apps/computer/openmpi-2.0.1/bin/mpicc
> -DCMAKE_CXX_COMPILER=/share/apps/computer/openmpi-2.0.1/bin/mpic++
> -DCMAKE_PREFIX_PATH=/share/apps/chemistry/gromacs-5.1
> -DBUILD_SHARED_LIBS=off
>
> please note that I didn't use -DGMX_MPI=on
> Just want to be sure that everything is fine. Do you agree with that?
>
> Regards,
> Mahmood
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