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