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Argonne Leadership
Computing Facility

Data Science Modules

The ALCF Data Science group provides modules to simplify the usage of common data science tools, such as TensorFlow, PyTorch, Horovod, and mpi4py. Users can see a list of available datascience modules with module avail datascience. More information about each module can be found by executing module show <MODULENAME>.

conda/YYYY-MM-DD

We periodically build modules containing shared Anaconda environments with TensorFlow, PyTorch, Horovod, and mpi4py all in for the same Python binary. E.g. conda/2021-09-22 was built on 2021-09-22 and can be used instead of individualized datascience/* modules discussed below.

datascience/mpi4py

This module loads the environment required to run MPI for Python (mpi4py) package. The version of mpi4py is 3.0.2.

Note: This module loads intelpython36 and gccmodules.

datascience/tensorflow-X

This module loads the environment required to run TensorFlow on Theta. Available versions span 1.13 to 2.3.

Note: This module loads intelpython36 and gcc/8.2.0 (currently missing) modules. You will get a core dump if you try to use TensorFlow on the login node, since TensorFlow library was compiled to use AVX512F instructions, which are available on compute nodes.

datascience/horovod-X

This module loads the environment required to run Horovod on Theta. Horovod is a distributed deep learning framework for TensorFlow, Keras, PyTorch, and MXNet. Available versions span 0.16.1 to 0.19.0-oneccl.

Note: This module loads intelpython36 and gcc/8.2.0 (currently missing) modules. However, it doesn’t load TensorFlow, Keras, or PyTorch. You have to load one of these modules in order to use it together with horovod.

datascience/keras-X

This module loads the environment required to run Keras, which is a high-level Python API to run TensorFlow. You must manually load a TensorFlow module in addition to a Keras module.

Note: This module loads intelpython36, gcc/8.2.0 (currently missing) modules.

datascience/pytorch-X

This module loads the environment required to run PyTorch, a deep learning platform with Python and C++ API.

Note: This module loads intelpython36, gcc/8.2.0 (currently missing) modules.

References