Restart DL_POLY Simulations

This shell script restarts DL_POLY simulations - enabling simulations to be run over multiple jobs.

This script:

1. Creates consecutively numbered directories (save$numdir), copies and zips the relevant files into the directories
2. Edits the CONTROL file to enable the simulation to restart from a previous simulation
3. Runs the relevant job submission script
4. Calculates the progress of the overall simulation

Notes:

This script is designed to submit jobs to the Bath HPC. To restart DL_POLY simulations on any HPC please change the name of the job submission script on line 86.

• Line 86:

sbatch run.dlc