[gmx-users] gromacs build options

Mark Abraham mark.j.abraham at gmail.com
Sat Oct 8 13:13:36 CEST 2016


Hi,

If you're trying to install OpenMPI, please read its docs. That's a
completely separate thing from installing GROMACS, and one you have to
accomplish before e.g. trying to build GROMACS with support for that
OpenMPI library, by using the newly installed wrapper compiler.

Mark

On Sat, Oct 8, 2016 at 1:04 PM Mahmood Naderan <mahmood.nt at gmail.com> wrote:

> ​Excuse me, what I understood from the manual is that
> -DCMAKE_INSTALL_PREFIX is the same as --prefix in ./configure script. Do
> you mean that I can give multiple location with that option? One for the
> gromacs itself and the other for the MPI?
>
> I mean
> -DCMAKE_INSTALL_PREFIX=/share/apps/gromacs-5.1
> -DCMAKE_INSTALL_PREFIX=/share/apps/openmpi-2.0.1
>
>
>
> Regards,
> Mahmood
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