Dear All I want to run gromacs in parallel on cluster.for this I follow below steps: 1-I connect to a node with ssh comand,fro example: ssh compute-o-1 2-cd scratch 3-grompp -f md.mdp -c input.gro -o output.tpr -p topol.top -n index.ndx 4- nohup mpirun -np 8 mdrun -deffnm output &
The result is running mdrun on one node(compute-0-1) (on its 4 CPUs) Besides when I used the following command I get an executeable Error: mpirun -np 8 mdrun_mpi -deffnm output & The Error is related to mdrun_mpi I think is related to my cluster,because both of above commands work in my laptop Please let me know how can I run mdrun on all of CPUs of my cluster. Thanks in advance Mohsen
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