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 default installed version of RMCProfile, simply load the
module load rmcprofile
For full usage documentation, see the user manual.
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.
qsh -V module load rmcprofile rmcprofile example_project atomeye example.cfg