===== NWChem =====
Load mpi
<code bash>
module load mpi/openmpi-x86_64 
</code>
and execute
<code bash>
nwchem_openmpi
</code>
===== Use NWChem with ase =====
If you use virtual environments:
<code bash>
cd ~/.virtualenvs/virtual_env_name/bin/
</code>
and edit the postactivate file by inserting 
<code bash>
export ASE_NWCHEM_COMMAND="mpirun -np "$(nproc)" --oversubscribe nwchem_openmpi PREFIX.nwi > PREFIX.nwo"
</code>