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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 rmcprofile module:

module load rmcprofile

For full usage documentation, see the user manual.

Example job

Running inside an interactive UGE job

If you need run interactive job, please run all RMCProfile commands inside an interactive session

Serial job

Here is an example job running on 1 core and 1GB of memory:

#$ -cwd
#$ -j y
#$ -pe smp 1
#$ -l h_rt=1:0:0
#$ -l h_vmem=1G

module load rmcprofile

rmcprofile INPUT_FILE

Here are examples showing how to run interactive commands from the RMCProfile suite:

$ qlogin
$ module load rmcprofile
$ rmcprofile example_project
> atomeye example.cfg