Run these examples as:

mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.hop1 mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.hop2 mpirun -np 4 lmp_g++ -partition 4x1 -in in.neb.hop1.end mpirun -np 3 lmp_g++ -partition 3x1 -in in.neb.sivac

mpirun -np 8 lmp_g++ -partition 4x2 -in in.neb.hop1 mpirun -np 8 lmp_g++ -partition 4x2 -in in.neb.hop2 mpirun -np 8 lmp_g++ -partition 4x2 -in in.neb.hop1.end mpirun -np 8 lmp_g++ -partition 4x2 -in in.neb.sivac

Note that more than 4 replicas should be used for a precise estimate of the activation energy corresponding to a transition.

If you uncomment the dump command lines in the input scripts, you can create dump files to do visualization from via Python tools: (see lammps/tools/README and lammps/tools/python/README for more info on these Python scripts)

python ~/lammps/tools/python/neb_combine.py -o dump.hop1.combine

					    -b dump.nonneb.1 
					    -r dump.neb.*

python ~/lammps/tools/python/neb_final.py -o dump.hop1.final

					  -b dump.nonneb.1	
					  -r dump.neb.*

produces:

dump.hop1.combine = series of snapshots for all replicas together

		    time = progression of NEB calculation

dump.hop1.final = series of snapshots for final state of all replicas

		  time = replica #