README.md

# Gnina

# Using this container on Cheaha

You will need to have requested resources on Cheaha, preferably the HPC desktop interactive App. This way, you would be able to access a terminal on a compute node, where the Singularity module is loaded by default. In the terminal of a compute node run the following commands;

1. Pull the container with singularity 

    ``` bash

    singularity pull gnina.sif docker://gitlab.rc.uab.edu:4567/rc-data-science/community-containers/gnina/gnina:<tag>

    ```
1. When the above step is completed, you can now run the Gnina container on Cheaha using the command below to test it out.

    ``` bash

    singularity exec --nv gnina.sif sh -c 'gnina --help'

    ```