some vasp programs and vasp software Commonly used VASP scripts for fixing atoms and NEB. Script purposes and script copies can be found on Google. If you want to use vasp, you need to get a licence. To install the vasp in super computer.
See the process in the vaspwiki,but for super computer,you need to read the computer's manual carefully.
Using vasp, you need to comfirm which module you are used in supercomputer, If you install the intel_Version，you need to load intel_mkl and intel_mpi modles.
( Don't forget, unlimited the 'ulimit -s unlimited' or 'ulimit -l unlimited')