On 22 Aug 2014, at 18:09, Xingcheng Lin wrote:
> There will be an error if I did
> mpiexec -np 4 mdrun_mpi -s run.tpr -cpi state.cpt -cpo state.cpt -noappend
> -gpu_id 01 -nb gpu -ntomp 6
>
> Incorrect launch configuration: mismatching number of PP MPI processes and
> GPUs per node.
> mdrun_mp
There will be an error if I did
mpiexec -np 4 mdrun_mpi -s run.tpr -cpi state.cpt -cpo state.cpt -noappend
-gpu_id 01 -nb gpu -ntomp 6
Incorrect launch configuration: mismatching number of PP MPI processes and
GPUs per node.
mdrun_mpi was started with 4 PP MPI processes per node, but you provide
Hi,
On 22 Aug 2014, at 01:38, Xingcheng Lin wrote:
> Good afternoon,
>
> I am trying to use multiple nodes to do GPU simulation, each node has two
> GPUs and 12 CPUs mounted. Is there any submission script for doing that?
>
> For single node I used:
>
> mpiexec -np 2 mdrun_mpi -s run.tpr -cpi
Good afternoon,
I am trying to use multiple nodes to do GPU simulation, each node has two
GPUs and 12 CPUs mounted. Is there any submission script for doing that?
For single node I used:
mpiexec -np 2 mdrun_mpi -s run.tpr -cpi state.cpt -cpo state.cpt -noappend
-gpu_id 01 -nb gpu -ntomp 6
For 2
