Installing IPS on NERSC¶
NERSC recommends the use of anaconda environments to mange python installs, see Brief introduction to Python at NERSC.
There is a conda environment already constructed and maintained for
the atom project created using the shareable environment
method. You can activate it by running source
/global/common/software/atom/cori/ips-framework-new/bin/activate
.
Creating you own conda environment¶
This guide will go through creating a conda environment on NERSC installing the IPS Framework using Option 2: Module + source activate
First, you need to load the python module, then create and activate a new conda environment. This will create the conda environment in your home directory
module load python
conda create --name my_ips_env python=3.8 # or any version of python >=3.6
source activate my_ips_env
Next, get download the IPS Framework and install it into the conda environment
git clone https://github.com/HPC-SimTools/IPS-framework.git
cd IPS-framework
python -m pip install .
To leave your environment
conda deactivate
The example below show how to select the newly create conda environment to run use, see Running Python in a batch job
#!/bin/bash
#SBATCH --constraint=haswell
#SBATCH --nodes=1
#SBATCH --time=5
module load python
source activate my_ips_env
ips.py --config=simulation.config --platform=platform.conf