RASPA2 2.0.47-foss-2022a

RASPA is a software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials.

Accessing RASPA2 2.0.47-foss-2022a

To load the module for RASPA2 2.0.47-foss-2022a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2022a
module load RASPA2/2.0.47-foss-2022a

BEAR Apps Version

2022a

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two part: 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 RASPA2 website.

Dependencies

This version of RASPA2 has a direct dependency on: foss/2022a

Last modified on 17th May 2024