Hi,
my personal solution to this is to tell mpirun to run 'gmx_mpi grompp'
just once on just one cpu: `mpirun -n1 -c1 gmx_mpi grompp ...`. But like
Mark wrote, it depends on your installed MPI whether this is needed.
Peter
On 29/06/16 10:49, Mark Abraham wrote:
> Hi,
>
> The MPI build only
Dear gromacs user,
What are the gromacs command on parallel mdrun in single precision in 5.1.2
version?
I just know the "gmx mdrun" changes to "mpirun gmx_mpi mdrun" as you can
see in below script, but how about otheres? for example "gmx grompp" ?
#$ -A gromacs_parallel
#$ -pe orte_sl16* 32
.
