[gmx-users] mdrun_mpi executable not found

[Mark Abraham]

On 26/01/2011 8:50 AM, Justin Kat wrote:
> Alright. So meaning I should have instead issued:
>
> ./configure --enable-mpi --program-suffix=_mpi||
> make mdrun
> make install-mdrun
> make links
>
> to have installed an MPI-enabled executable called mdrun_mpi apart 
> from the existing mdrun executable? (Would I also need to append the 
> _mpi suffix when issuing the first two make and make install commands 
> above?

No. See http://www.gromacs.org/Downloads/Installation_Instructions

Mark

>
> Thanks,
> Justin
>
> On Mon, Jan 24, 2011 at 8:08 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
>
>
>
>     Justin Kat wrote:
>     > Thank you for the reply!
>     >
>     > hmm mdrun_mpi does not appear in the list of executables in
>     > /usr/local/gromacs/bin (and well therefore not in /usr/local/bin).
>     >
>     > Which set of installation commands that I used should have
>     compiled the
>     > mdrun_mpi executable? And how should I go about getting the
>     mdrun_mpi
>     > executable at this point?
>     >
>
>     I see it now.  When you configured with --enable-mpi, you didn't
>     specify
>     --program-suffix=_mpi, so the installation procedure over-wrote
>     your existing
>     (serial) mdrun with an MPI-enabled one simply called "mdrun."  The
>     configure
>     output should have warned you about this.  You could, in theory,
>     simply re-name
>     your existing executable "mdrun_mpi" and then re-install a serial
>     mdrun, if you
>     need it.
>
>     -Justin
>
>     --
>     ========================================
>
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
>     ========================================
>     --
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