RMCProfile (Reverse Monte Carlo) determines the local structure of crystalline materials while still being capable of analysing disordered systems.
RMCProfile is available as a module on Apocrita.
To run the latest installed version of RMCProfile, simply load the
module load rmcprofile
For full usage documentation, see the user manual.
Special node type required
Because of the way the pre-built package was compiled, RMCProfile will
only run on the dn, sm and
sdv nodes; Other node types yield an illegal instruction
error. To specify a specific node type, pass the
Run inside an interactive UGE job
Please run all RMCProfile commands inside an interactive job. To launch an
interactive job with an X-Window, run
Here are commands showing how to run example commands from the RMCProfile suite on an sdv node:
qsh -V -l node_type=sdv module load rmcprofile rmcprofile example_project atomeye example.cfg