- First, git clone the project
git clone https://github.com/softmaterialslab/nanoconfinement-cpmd - Then, load the required modules using following command:
module swap PrgEnv-cray PrgEnv-gnu && module load boost/1.65.0 && module load gsl - Next, go to the root directory:
cd nanoconfinement-cpmd - Then, install the project:
make cluster-install - Fianlly, submit the job:
make cluster-submit - All outputs from the simulation will be stored in the bin/outfiles folder when the simulation is completed.