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PyTorch and Anaconda

Some images, like the PyTorch images from NGC, come with Anaconda, which is a widely used Python distribution. In this example we will build a PyTorch image and install additional Anaconda packages in the image.

First build our Singularity image from a Docker PyTorch image and install additional conda packages. The Singularity file contains:

BootStrap: docker
From: nvcr.io/nvidia/pytorch:23.05-py3

%post
/opt/conda/bin/conda install -c anaconda beautifulsoup4

Paste this into a file on AI Cloud you call pytorch.sif and build using:

srun singularity build --fakeroot pytorch.sif Singularity

Again this may take some time. Notice that we pull the PyTorch Docker image from NGC

Next we can, e.g., run our container in interactive mode:

srun --pty --gres=gpu:1 singularity shell --nv pytorch.sif

and we can then use the Anaconda Python distribution to for example run IPython

$ ipython
Python 3.8.10 (default, Nov 14 2022, 12:59:47) 
Type 'copyright', 'credits' or 'license' for more information
IPython 8.9.0 -- An enhanced Interactive Python. Type '?' for help.

In [1]: import torch

In [2]: import bs4