OpenMM 7.7.0-foss-2022a

OpenMM is a toolkit for molecular simulation.

Accessing OpenMM 7.7.0-foss-2022a

To load the module for OpenMM 7.7.0-foss-2022a please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load bear-apps/2022a
module load OpenMM/7.7.0-foss-2022a

BEAR Apps Version

2022a

Architectures

EL8-cascadelake — EL8-haswell — EL8-icelake

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR 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.
  • BEAR Cloud and CaStLeS VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

More Information

For more information visit the OpenMM website.

Dependencies

This version of OpenMM has a direct dependency on: 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/2.3.1-foss-2022a-CUDA-11.7.0 AlphaFold/2.3.1-foss-2022a

Last modified on 4th April 2023