So today is Canada Day and it is a holiday for everyone in the research group, but I am over here in Mexico and that doesn't feel very canadian. It was cool to read a little bit about Canada's history and that it is a very celebrated day over there.

Today I made somre progress into running scripts in CC which will be something highly valued during this internship time.

How to run a python script in CC:

python my_script.py

This command will run my_script.py in a log-in node, which is not something that is preferable. For doing it in the correct way, it is necessary to submit a shell script that will be read by the job scheduler. This kind of script would look as the following:

#!/bin/bash
#SBATCH --account=rrg-ayers-ab
#SBATCH --time=00-01:00:00
#SBATCH --job-name=my_python_script
#SBATCH --output=%x-%j.out

# load a module
module load gcc/7.3.0 rdkit/2019.03.4

# load virtual environment
source /home/juansa/envs/my_virtual_env/bin/activate

python my_script.py