Fwd: [gmx-users] mdrun on several clusternodes using PME gromacs 3.3.1

thank you lars and sorry guys, i forgot to let you know about another outputfile concerning the problem discussed above: lars: i submitted my jobs with an mdrun_mpi command to our cluster with: qsub run_the_simulation.sh and in the sh script the command is grompp -np $NODES -n $1_ion -f

Re: Fwd: [gmx-users] mdrun on several clusternodes using PME gromacs 3.3.1

Hi Joern, I would guess that's the old GROMACS+mpich-1/ch_p4 problem. I have also encountered it a number of times. Runs fine on one or two nodes, but fails with a p4_error on more nodes. What version of mpich are you using? If it is mpich-1.2.x, try mpich-2, this solved the problem for me.