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The CINECA AI project can be used in several ways, depending on the method more suited to your needs and on the availability of conda/pip packages.
NOTE: at present the cineca-ai tool is available in MARCONI100 environment (versions from 1.0.0 to 2.0.2) and GALILEO100 (version 2.0.2).
1. Loading cineca-ai module
The first way to use the cineca-ai environment goes through the loading of the module:
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If you need to use a package not included in the list of those provided by the cineca-ai modules, you can always rely on the cineca-ai environment for the dependencies and install what you need within a personal virtual environment and/or a conda environment.
1.1 install additional packages within a virtual environment
If your package is available to pip:
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$ module load profile/deeplrn
$ module load autoload cineca-ai/2.1.0
$ python -m venv torch_venv --system-site-packages
$ source torch_venv/bin/activate
$ pip install torch-scatter
2. create a personal conda environment with selected packages from CINECA channel
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module load autoload cineca-ai/<version> conda create --prefix <mycondaenv> -y conda activate <mycondaenv> # see all packages in the channel conda search -c $CINECA_AI_CHANNEL --override-channels # install a package from the channel conda install -c $CINECA_AI_CHANNEL PACKAGE |
2.1 install additional packages within a virtual environment
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# after activating <mycondaenv> and installed the needed prerequisites of PACKAGE from CINECA channel python -m venv <myvenv> --system-site-packages source <myvenv>/bin/activate pip install PACKAGE |
2.2 install additional packages within a conda environment
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# after activating <mycondaenv> and installed the needed prerequisites of PACKAGE from CINECA channel, install the additional packages conda install PACKAGE1 conda install -c conda-forge PACKAGE2 |
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- for some packages you need to explicit the external channel to use, e.g. conda-forge
2.3 install additional packages within a conda and a virtual environment
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# after activating <mycondaenv> and installed the needed prerequisites of PACKAGE from CINECA channel, install the additional conda packages conda install PACKAGE # create a virtual env and install the additional pip packages python -m venv <myvenv> --system-site-packages source <myvenv>/bin/activate pip install PACKAGE |
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$ module load autoload cineca-ai/2.1.0
$ conda create --prefix <mycondaenv> -y
$ conda activate <mycondaenv>
$ conda install -c $CINECA_AI_CHANNEL mpi4py jaxlib jax dm-tree mpi4jax
$ conda install cmake h5py -y
$ conda install -c conda-forge llvmlite=0.38.0 orjson -y
$ python -m venv <myvenv> --system-site-packages
$ source <myvenv>/bin/activate
$ pip install 'git+https://github.com/netket/netket.git#egg=netket[all]'
3. clone the CINECA channel in your personal channel
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conda create --prefix <mycondaenv> --clone /cineca/prod/opt/libraries/cineca-ai/<version>/none/cineca-ai-conda-env-py3.8-cuda-openmpi-11.0 -y conda activate mycondaenv # see all packages in the channel conda search -c <mycondaenv> --override-channels # install a package from your personal channel conda install -c <mycondaenv> PACKAGE |
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