benchmarks/stability/README.md

# MD Stability under heating and compression (2.2)

## Run

Two notebooks [temperature.ipynb](temperature.ipynb) and [pressure.ipynb](pressure.ipynb) are provided to run multiple MD simulations in parallel using Prefect workflow. 

To run the benchmark, please modify the SLURM cluster setting (or change to desired job queing systems following [dask-jobqueuue documentation](https://jobqueue.dask.org/en/latest/))

## Analysis

To analyze the results, run [plot.ipynb](plot.ipynb) notebook.