Supplement for "Container-driven Reproducible Research Made Simple"

The following repository contains a number of example Docker based Development Containers from our paper. All containers are listed under the .devcontainer directory with an additional SLURM script each can be tested on the following systems:

• Listing 1-6: Any system using Docker container engine
• Listing 9: Any system with a CUDA 12 enabled Nvidia GPU
• slurm-gpu.sh: Texas A&M University's FASTER cluster

Usage

Before using this, you must have Visual Studio Code (VS Code) and the Dev Container extension downloaded and installed. Note: Multiple container profiles used in this repository are not supported by GitHub Codespaces and therefore are only compatible with VS Code. There is a default container that follows 4-customized schema that will launch if using Codespaces.

1. Clone the repository on your desired system:

git clone [email protected]:392781/containerized-research-computing.git

2. Open the cloned folder using VS Code.

3. Using the "Remote Window" interface, select "Reopen in Container":

4. Select the desired container to build:

5. If you wish to run the SLURM script, simply schedule it to be run by using sbatch slurm-gpu.sh on a compatible system.