This is a python module for running VASP our (the Kitchin group) way. See http://kitchingroup.cheme.cmu.edu/dft-book for comprehensive examples of using jasp.

Briefly, jasp simplifies creation of calculation scripts, automates job submission and management to a queue system, and provides more functionality than the ase.calculators.vasp module. Python 2.7 is probably required, and jasp uses as many new features of python as possible.

First clone the repository, and make sure the jasp directory in the repository is on your PYTHONPATH.

You need to have the following environment variables set:

VASP_PP_PATH   - path to the directory containing your POTCAR files
VASP_SCRIPT    - path to a script that is run for a calculation

Mine are set to:

16:12:37 1114> echo $VASP_PP_PATH 
/home-research/jkitchin/src/vasp/
16:12:41 1115> echo $VASP_SCRIPT 
/home-research/jkitchin/kitchin-python/jasp/bin/runjasp.py

You may also want to add jasp/bin to your PATH. That directory contains an example runjasp.py and a jaspsum script