HOWTO: Use GPU with Tensorflow and PyTorch
GPU Usage on Tensorflow
Environment Setup
To begin, you need to first create and new conda environment or use an already existing one. See HOWTO: Create Python Environment for more details. In this example we are using python/3.6-conda5.2
Once you have a conda environment created and activated we will now install tensorflow-gpu
into the environment (In this example we will be using version 2.4.1
of tensorflow-gpu
:
conda install tensorflow-gpu=2.4.1
HOWTO: Run Python in Parallel
We can improve performace of python calculation by running python in parallel. In this turtorial we will be making use of the multithreading library to run python code in parallel.
Git 2.39.0 is available
Git 2.39.0 has been installed on Pitzer. Usage is via the module git/2.39.0. For help loading an installation, use the command: "module spider git/2.39.0". That command also emits information on usage and installation details.
System Downtime August 8 2023
Gromacs 2023.2 is available
Gromacs 2023.2 has been installed on all the clusters. Usage is via the module gromacs/2023.2. For help loading an installation, use the command: "module spider gromacs/2023.2". That command also emits information on usage and installation details.
PETSc 3.19.3 is available on Owens and Pitzer
PETSc 3.19.3 has been installed with both gnu and intel compilers on both Owens and Pitzer. Usage is via the module petsc/3.19.3. For help loading, use the command: "module spider petsc/3.19.3". That command also emits information on usage and installation details.
Tinker 8.10.5 is available on Owens and Pitzer
Tinker 8.10.5 has been installed with intel/2021.3.0 compilers on Owens and Pitzer. Usage is via the module tinker/8.10.5. For help loading, use the command: "module spider tinker/8.10.5". That command also emits information on usage and installation details.
Tinker
Tinker is a molecular modeling package. Tinker provides a general set of tools for molecular mechanics and molecular dynamics.