Attention

GPU users: GPU nodes run EL9, while this documentation still reflects the EL7 software stack.

Run module avail on an EL9 login node, or within an interactive session on the relevant GPU type, to see the software available.

The documentation will be updated once all nodes have migrated to EL9.

Schrodinger

Schrodinger aims to provide integrated software solutions and services that truly meet its customers needs. We want to empower researchers around the world to achieve their goals of improving human health and quality of life through advanced computational techniques that transform the way chemists design compounds and 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 Schrodinger can then be made available with one of the following:

module load Schrodinger/2023-2

Notes

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