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NCSA deploys GPU-enabled TeraChem software on Forge cluster

NCSA has deployed the quantum chemistry software TeraChem 1.50 on the center’s CPU-GPU cluster, Forge. TeraChem is designed to run on NVIDIA CUDA-enabled GPU architectures and is the fastest GPU-accelerated computational chemistry software available.

On Forge, the distribution is at /usr/apps/chemistry/Terachem, with instructions for running in batch and interactive at /usr/apps/chemistry/Terachem/README.txt and a user guide at /usr/apps/chemistry/Terachem/userguidev1.50.pdf.

For a detailed overview of TeraChem’s capabilities, see:

Forge users can contact Sudhakar Pamidighantam at with additional questions.

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