Contains mini tutorials to cover a variety of use cases of running jobs on clusters.
Please run the jobs in their respective folder. The script use --get-user-env to automatically cd into the folder.
Tip
For instructions on using pre-built FHIaims executables to generate data consistent with MAD-2 settings, see the README in the FHIaims subdirectory.
Q1. When installing a new package on the cluster, I encounter an error where I run out of disk space. What should I do?
You should install packages that require a large tmp directory on the login node, the tmp directory on the other nodes is limited to ~2GB.