[gmx-users] installing gromacs 4.6.1 with openmpi

[Mark Abraham]

Sounds like a non-GROMACS problem. I think you should explore configuring
OpenMPI correctly, and show you can run an MPI test program successfully.

Mark


On Thu, Nov 7, 2013 at 5:51 PM, niloofar niknam
<niloofae_niknam at yahoo.com>wrote:

> Dear gromacs users
> I have installed gromacs 4.6.1 with cmake 2.8.12, fftw3.3.3 and
> openmpi-1.6.4 on a single machine with 8 cores(Red Hat Enterprise linux
> 6.1) . During openmpi installation ( I used "make -jN") and also in gromacs
> installation ( I used "make -j N" command), everything seemed ok but when I
> want to use mpirun -np N mdrun I face this error:
>
> "mpiexec failed: gethostbyname_ex failed for Bioinf2"
> (I can run mdrun with just one cpu).Any suggestion would be highly
> appreciated.
> thanks in advance,
> Niloofar
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