RASPA2

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

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

A version of RASPA2 can then be made available with one of the following:

module load RASPA2/2.0.47-foss-2022b
module load RASPA2/2.0.41-foss-2020b

Notes

RASPA2 was installed using Easybuild, build details can be found in $EBROOTRASPA2/easybuild with a given module loaded.

Dependencies for latest version of RASPA2