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

[Chalaoux, Francois-Regis]

Thanks a lot Mark !

> Le 5 mai 2016 à 14:35:24, Mark Abraham <mark.j.abraham at gmail.com> a écrit :
> 
> 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
>>> --
>>> Gromacs Users mailing list
>>> 
>>> * Please search the archive at
>>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>>> posting!
>>> 
>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>> 
>>> * For (un)subscribe requests visit
>>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>>> send a mail to gmx-users-request at gromacs.org.
>>> 
>> --
>> Gromacs Users mailing list
>> 
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>> 
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>> 
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>> --
>> Gromacs Users mailing list
>> 
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>> 
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>> 
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>> 
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.