Example: Running Pytorch Script with GPU Support

Submitting jobs to the GPU Partition

Step 1: Setup the Python environment

Load Python Module, e.g:

module load lang/Python/lang/Python/3.10.4-GCCcore-11.3.0

Change the python package installation path to your scratch folder, if not already specified in your .bashrc (see Python for more details)

export PYTHONUSERBASE=/scratch/<PROJECT_NAME>/<USER>/.local
export PATH=/scratch/<PROJECT_NAME>/<USER>/.local/bin:$PATH

(Don’t forget to replace <PROJECT_NAME> and <USER> with your project name and username)

Install pytorch and numpy to your local enrivonment:

pip install -U numpy torch

Step 2: Create your Python script

Create a Python Script which performs some pytorch operations on the GPU, e.g:

import torch

use_cuda = torch.cuda.is_available()
device = torch.device("cuda" if use_cuda else "cpu")


print("Using device:", device)

A = torch.randn(500,400).to(device)
B = torch.randn(400,200).to(device)

C = torch.sum(torch.mm(A,B)).item()

print("Result:", C)

Save it in for example /scratch/<PROJECT_NAME>/<USER>/pytorch_test_project/test.py

Step 3: Create a SBATCH jobscript and submit it to the Slurm queue

Write a jobscript in order to run your python script on a gpu compute node. Here is an example for a jobscript on Noctua2:

#!/bin/bash

#SBATCH --job-name="test job"
#SBATCH --time=00:05:00
#SBATCH --gres=gpu:a100:1 
#SBATCH --partition=gpu

module load lang
module load Python/3.10.4-GCCcore-11.3.0

export PYTHONUSERBASE=/scratch/<PROJECT_NAME>/<USER>/.local
export PATH=/scratch/<PROJECT_NAME>/<USER>/.local/bin:$PATH

python test.py

(Don’t forget to replace <PROJECT_NAME> and <USER> with your project name and username)

Save it in the same folder where you python script is located, e.g. /scratch/<PROJECT_NAME>/<USER>/pytorch_test_project/jobscript.sh

Submit the Jobscript by calling:

sbatch jobscript.sh

Using GPUs interactively

If you would like to use GPUs for development, it is recommended to do that within an interactive Slurm Session on the DGX. More information on that can be found here https://uni-paderborn.atlassian.net/wiki/spaces/PC2DOK/pages/12944324/Running+Compute+Jobs#Using-GPUs-for-Development-and-Testing-Purposes .

Please keep in mind that you also need to setup the Python environment in an interactive session as written in step 1 (see above).