[gmx-users] Regression test for mdrun only installation

Mark Abraham mark.j.abraham at gmail.com
Mon Jul 13 13:31:59 CEST 2015


Hi,

No. The full gmx binary is needed for that test suite, for running
preparatory and analysis tools in the suite. Probably the mdrun and the gmx
must share a common suffix w.r.t. _mpi or _d (or no suffix at all), but
otherwise if an mdrun-only build is installed on top of a full build, then
things will work fine.

Mark

On Mon, Jul 13, 2015 at 1:15 PM Kortzak, Daniel <d.kortzak at fz-juelich.de>
wrote:

> Dear GMX-Users,
>
> just one quick question: is there a simple way to do the regression test
> with a mdrun-only build of gromacs 5.05?
>
> cheers,
> Daniel
>
>
>
> ------------------------------------------------------------------------------------------------
>
> ------------------------------------------------------------------------------------------------
> Forschungszentrum Juelich GmbH
> 52425 Juelich
> Sitz der Gesellschaft: Juelich
> Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
> Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher
> Geschaeftsfuehrung: Prof. Dr.-Ing. Wolfgang Marquardt (Vorsitzender),
> Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
> Prof. Dr. Sebastian M. Schmidt
>
> ------------------------------------------------------------------------------------------------
>
> ------------------------------------------------------------------------------------------------
>
> --
> 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.
>


More information about the gromacs.org_gmx-users mailing list