OpenMM 8.0.0-foss-2022a-CUDA-11.7.0

OpenMM is a toolkit for molecular simulation.

Accessing OpenMM 8.0.0-foss-2022a-CUDA-11.7.0

To load the module for OpenMM 8.0.0-foss-2022a-CUDA-11.7.0 please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2022a
module load OpenMM/8.0.0-foss-2022a-CUDA-11.7.0

There is a CPU version of this module: OpenMM 8.0.0-foss-2022a

BEAR Apps Version

2022a

Architectures

EL8-emeraldrapids — EL8-icelake (GPUs: NVIDIA A100, NVIDIA A30) — EL8-sapphirerapids

The listed architectures consist of two parts: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the OpenMM website.

Dependencies

This version of OpenMM has a direct dependency on: CUDA/11.7.0 foss/2022a Python/3.10.4-GCCcore-11.3.0 SciPy-bundle/2022.05-foss-2022a SWIG/4.0.2-GCCcore-11.3.0

Required By

This version of OpenMM is a direct dependent of: AlphaFold/2.3.2-foss-2022a-CUDA-11.7.0

Other Versions

These versions of OpenMM are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 11th April 2024