diff --git a/HPC_Python_Guide.md b/HPC_Python_Guide.md index 9e467509bef6dd4a7db979a75a8e85019f13df00..3924b7a7fe1b46a03b01d1faa0c92e7e57078f42 100644 --- a/HPC_Python_Guide.md +++ b/HPC_Python_Guide.md @@ -29,13 +29,15 @@ a100sh 2. Load modules for Python by entering: ``` - module load python3/3.8.9 - module load numpy/1.19.5-python-3.8.9-openblas-0.3.13 - module load scipy/1.5.4-python-3.8.9 - module load cuda/11.0 + module load python3/3.9.14 + module load numpy/1.23.3-python-3.9.14-openblas-0.3.21 + module load scipy/1.9.1-python-3.9.14 + module load matplotlib/3.6.0-numpy-1.23.3-python-3.9.14 + module load cuda/11.6 ``` - We load `numpy` and `scipy` as modules, since the HPC team have made optimized versions for the HPC cluster. - NOTE: this uses Python 3.8 but others are available. + We load `numpy`, `scipy`, and `matplotlib` as modules, because the HPC team have made optimized versions for the HPC cluster. + + > __NOTE:__ This guide uses Python 3.9 and CUDA 11.6 but other versions are available. 3. Create a virtualenv by running: ``` @@ -62,10 +64,11 @@ You should now be able to install packages with pip install <PACKAGE> as normal. 2. Load modules for Python by entering: ``` - module load python3/3.8.9 - module load numpy/1.19.5-python-3.8.9-openblas-0.3.13 - module load scipy/1.5.4-python-3.8.9 - module load cuda/11.0 + module load python3/3.9.14 + module load numpy/1.23.3-python-3.9.14-openblas-0.3.21 + module load scipy/1.9.1-python-3.9.14 + module load matplotlib/3.6.0-numpy-1.23.3-python-3.9.14 + module load cuda/11.6 ``` We load `numpy` and `scipy` as modules, since the HPC team have made optimized versions for the HPC cluster. @@ -77,10 +80,11 @@ You should now be able to install packages with pip install <PACKAGE> as normal. > __Pro tip:__ To make life easy, put these commands in a bash script called `init.sh`: > ``` > #!/bin/bash -> module load python3/3.8.9 -> module load numpy/1.19.5-python-3.8.9-openblas-0.3.13 -> module load scipy/1.5.4-python-3.8.9 -> module load cuda/11.0 +> module load python3/3.9.14 +> module load numpy/1.23.3-python-3.9.14-openblas-0.3.21 +> module load scipy/1.9.1-python-3.9.14 +> module load matplotlib/3.6.0-numpy-1.23.3-python-3.9.14 +> module load cuda/11.6 > > source <VENV_NAME>/bin/activate > ```