This page should contain a short guide on what the plugin does and a short example on how to use the plugin.
Use the following commands to install the plugin:
git clone https://github.com/neelravi/aiida-champ .
cd aiida-champ
pip install -e . # also installs aiida, if missing (but not postgres)
#pip install -e .[pre-commit,testing] # install extras for more features
verdi quicksetup # better to set up a new profile
verdi calculation plugins # should now show your calclulation plugins
Then use verdi code setup
with the champ
input plugin to set up an AiiDA code for aiida-champ.
A quick demo of how to submit a calculation:
verdi daemon start # make sure the daemon is running
cd examples
verdi run test_submit.py # submit test calculation
verdi calculation list -a # check status of calculation
If you have already set up your own aiida_champ code using verdi code setup
, you may want to try the following command:
champ-submit # uses aiida_champ.cli
CHAMPCalculation