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Singularity Documentation: https://docs.sylabs.io/guides/4.3latest/user-guide/

Initial account setup

1. Create an account on sylabs (via google/ucar email)
2. Generate access token - once logged in, got to the top right in the drop down menu under your user name and click "Access Tokens". Enter a label/alias, ie "Hercules", and click "Create Access Token". You will be prompted for this token when you first create a container using the --remote  option. 

Environment setup

Load the singularity module with: module load singularity

Building a singularity container

Singularity containers can be built using a .def  file. This allows for easy reproducibility and standardization. You can find more information on this file setup in the Singularity Documentation. Below is a simple .def  file used for a bare bones container that is used to run WeatherBenchX.

TODO: insert def from Hercules

In order to build a container on a remote host or HPC, you need to use the --remote  flag since we typically do not have admin privileges. An example build command using the definition file above on Hercules is: singularity build --remote wb_container.sif /work2/noaa/jcsda/agriffin/JEDI_WB/wb_container/wb_container.def 

Running a container

TODO