[gmx-users] g_tune_pme can't be executed

[Carsten Kutzner]

Hi Daniel,

are you using the newest version of 4.6? There was an issue with g_tune_pme,
which I already fixed. I guess it could be responsible for the error that 
you see.

Best,
  Carsten


On Mar 21, 2013, at 2:26 PM, Daniel Wang <iwnking at gmail.com> wrote:

> Hi everyone~
> 
> When I run g_tune_pme_mpi, it prompts:
> 
> Fatal error:
> Need an MPI-enabled version of mdrun. This one
> (mdrun_mpi)
> seems to have been compiled without MPI support.
> 
> I'm sure my gromacs is compiled WITH MPI support and "mpiexec -n xx
> mdrun_mpi -s yy.tpr" works normally.
> How to fix it? I'm using gromacs4.6 and Intel MPI 4.1.0.
> Thanks.
> 
> -- 
> Daniel Wang / npbool
> Computer Science & Technology, Tsinghua University
> -- 
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/grubmueller/kutzner
http://www.mpibpc.mpg.de/grubmueller/sppexa