FabMD

FabMD is a FabSim3 plugin for automated LAMMPS-based simulations.

This plugin provides functionality to extend FabSim3's workflow and remote submission capabilities to LAMMPS specific tasks.

For the full FabMD documentation, please visit https://fabmd.readthedocs.io

EasyVVUQ+FabMD

After updating the following files with your credentials

  -FabSim3/deploy/machines_user.yml
  -FabSim3/deploy/machines.yml
  -FabSim3/plugins/FabMD/machines_FabMD_user.yml
  

run the following:

  -  fabsim   <remote machine name>   lammps_init_run_analyse_campaign:fabmd_easyvvuq_InRuAn

and copy the results back to your local machine with

  -  fabsim  <remote machine name>   fetch_results