Slurm Project

This repository contains two example projects designed to demonstrate how to run computational jobs on a Slurm cluster using R and Python. Each project is structured to promote reproducibility and organization, making use of Slurm for job scheduling.

Project Structure

Each language-specific project (r_project and python_project) contains several directories:

data/: Store input data files that will be used by the scripts.
results/: Output results will be saved here after script execution.
scripts/: Contains the main project scripts and the Slurm submit script.
utilities/: Place for additional utility functions or scripts.
config/: Holds configuration files where script variables and settings are defined to ensure reproducibility.

Specifics for Python Project

The python_project also includes a virtual environment to isolate and manage Python package dependencies. The dependencies should be defined in a requirements.txt file, ensuring consistent setups across different environments. To generate the requirements.txt file for your project, run the following command:

pip freeze > requirements.txt

Prerequisites

For the R project: \
- R and necessary R packages
For the Python project:
- Python 3.x
- pip for managing packages

Testing the basic setup

You can test the basic setup by running the following commands:

cd python_project
./scripts/submit_py.sh scripts/script.py configs/config.conf

or if you are using R:

cd r_project
./scripts/submit_R.sh scripts/script.R configs/config.conf

This should submit a job to the Slurm cluster, which will run the script using the configuration file provided. The output, which in this case is a simple copy of the 'data/dummy_data.csv' should be saved in the results/ directory.

Customizing to your needs

Create your own directory on the group share if not already done so:

cd /net/home.isilon/ag-pahle/
mkdir <your_name>

Clone the Repository:

cd /net/home.isilon/ag-pahle/your_name
git clone https://github.com/SzVarga/slurm_examples.git

Taylor the project to your needs. Make sure to install the necessary packages for your projects. If you are using Python, you can follow the steps below to set up the virtual environment:

source env/bin/activate
pip install <required_package>
pip freeze > requirements.txt
deactivate

Submit jobs to Slurm:

cd /net/home.isilon/ag-pahle/your_name/project_name
./scripts/submit_R.sh scripts/<script_name> <path_to_script_config_file>
./scripts/submit_py.sh scripts/<script_name> <path_to_script_config_file>

Monitor the job status:

squeue

Contributing

Contributions are welcome! If you find any issues or have suggestions for improvements, please open an issue or submit a pull request.

License

This project is licensed under the MIT License.