Jobrun is a configurable tool to run simulation jobs in HPC clusters. It is compatible with PBS, LSF and Slurm and currently supports the following simulation software:
- DFTB+
- Gaussian
- deMon2k
- ORCA
- VASP
Install from GitHub with pip
pip3 install --user git+https://github.com/josemvas/jobrun.git
After installing run
jobrun-cfg setup
and follow the instructions printed on the screen.
Upgrade from GitHub with pip
pip3 install --user --upgrade git+https://github.com/josemvas/jobrun.git
For system wide installation drop the --user option.
