I do MD simulations in SGE cluster using gromacs 5.0.2 version.

After exporting the path and libraries correctly, I gave the following commands

gmx grompp -f mdp/eql2.mdp -o eql2 -pp eql2 -po eql2 -c eql -t eql

mpirun -np 4 gmx mdrun -deffnm eql2

However, I got the error

Reading file eql2.tpr, VERSION 5.0.2 (single precision)

Reading file eql2.tpr, VERSION 5.0.2 (single precision)

Reading file eql2.tpr, VERSION 5.0.2 (single precision)

Reading file eql2.tpr, VERSION 5.0.2 (single precision)

Changing nstlist from 10 to 20, rlist from 1 to 1.029

Changing nstlist from 10 to 20, rlist from 1 to 1.029

Changing nstlist from 10 to 20, rlist from 1 to 1.029

Changing nstlist from 10 to 20, rlist from 1 to 1.029

Using 8 MPI threads

Using 1 OpenMP thread per tMPI thread

Using 8 MPI threads

Using 1 OpenMP thread per tMPI thread

Using 8 MPI threads

Using 1 OpenMP thread per tMPI thread

Using 8 MPI threads

Using 1 OpenMP thread per tMPI thread

--------------------------------------------------------------------------

mpirun noticed that process rank 1 with PID 28838 on node compute-0-3.local exited on signal 11 (Segmentation fault).

--------------------------------------------------------------------------