[gmx-users] How to Compile tools without mpi ?

[Mark Abraham]

Hi,

If you want to run mdrun across nodes, and be sure you can run analyses
without problems, then yes, you need two versions.

Mark

On Wed, May 4, 2016 at 5:43 PM Chalaoux, Francois-Regis <
Francois-Regis.Chalaoux at evotec.com> wrote:

> Should I compile 2 versions of Gromacs, one with and another without mpi ?
>
> FR.
>
> -----Message d'origine-----
> De : gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se] De la part de Mark
> Abraham
> Envoyé : mercredi 4 mai 2016 16:58
> À : gmx-users at gromacs.org; gromacs.org_gmx-users at maillist.sys.kth.se
> Objet : Re: [gmx-users] How to Compile tools without mpi ?
>
> Hi,
>
> Per the install guide, don't use an MPI wrapper compiler, and/or don't use
> -DGMX_MPI=on cmake option.
>
> Mark
>
> On Wed, May 4, 2016 at 4:35 PM Chalaoux, Francois-Regis <
> Francois-Regis.Chalaoux at evotec.com> wrote:
>
> > Hi,
> >
> > How to compile tools without mpi (i.e. do_dssp) ?
> >
> > FR
> > --
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