[gmx-users] mpiexec..

Erik Lindahl lindahl at csb.stanford.edu
Sun Aug 1 17:25:57 CEST 2004

Hi Sekwan,

There is no standard way of starting MPI programs, although mpirun is 
pretty common. You'll have to check the documentation for the MPI 
library on your system to see what they recommend, and which flags (if 
any) you should use.



On Jul 30, 2004, at 2:08 PM, Sekwan Oh wrote:

> Dear gmxeers,
> I've installed the parallel version of the Gromacs 3.2.1 on the IBM 
> p655
> machine.
> However there is only 'mpiexec' file available related to mpi in the
> machine.
> I'm not confident with my question, but is it possible to
> perform 'mdrun_mpi' with 'mpiexec' instead of 'mpirun'? if yes, then 
> how?
> Thanks in advance.
> All the best,
> Sekwan
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