Hi,
Unfortunately, your mail is pretty garbled, but in 5.0.7 you needed to
specify gmx_mpi mdrun -gpu_id with an id for every rank on a node that was
doing short-ranged PP work. In your case, that's probably
gmx_mpi mdrun -nb gpu -deffnm bact -gpu_id 0011
Or you can update to
Dear gmx users,Could you suggest me a correct md launch configuration. I am
using an University Cluster and would like use : Nodes 3 (3 * 20) has 60 MPI
processes. NVIDIA Tesla K20Xm: ( 2 GPUs ). Kindly suggest the optimal way to
get fast md run. I tried as the following bash script but ends
