hpc_setup.md

Setup of nocturne_lab on HPC

Installation (only do the first time)

1. Clone repo into HPC Greene at location /scratch/$USER, where $USER is your netid.
2. Move into nocturne_lab folder by running: cd nocturne_lab
3. Set up Singularity image: bash ./hpc/launch_image.sh
4. Create a virtual Python environment: python3 -m venv .venv
5. Activate venv: source .venv/bin/activate
6. Install Nocturne: bash ./hpc/post_setup_image.sh
7. Restart Singularity image: exit
8. Relaunch image: bash ./hpc/launch_image.sh
9. Check if Nocturne is properly installed:
   • (a) launch a Python shell
   • (b) import Nocturne by running import nocturne; import nocturne_cpp

Usage

Request an interactive compute node:

# Example: Request a single GPU for one hour
srun --nodes=1 --tasks-per-node=1 --cpus-per-task=1 --mem=10GB --gres=gpu:1 --time=1:00:00 --pty /bin/bash

Navigate to the repo:

cd /scratch/$USER/nocturne_lab

Launch the Singularity image:

bash ./hpc/launch_image.sh

Activate the Python virtual environment:

source .venv/bin/activate