/OOP_hard_sphere_event_chain

Event chain algorithm for hard spheres in quasi two dimensions. Used in the creation of the paper: https://journals.aps.org/prl/accepted/5f071Y88Z6e16c73873350a5a1658409be2fd9e2b, which is also available in partial in https://arxiv.org/abs/2111.14895

Primary LanguagePython

OOP hard sphere event chain

This repository uses event chain monte carlo to simulate anti-ferromagnetic (AF) latices, mainly in the tetratic phase. The code is designed to run on a condor cluster, for more information please read This

File structure

deploy_simulations_on_HTCondor

  1. send_parametric_runs.py This files sends multiple simulation runs to condor, it does this using a temporary txt file called ecmc_list.txt, that file houses the input string that is sent to the simulation runner.

  2. ecmc_list.txt Houses the information that will be sent to THCondor, for example:

    N=10000_h=0.8_rhoH=0.801_AF_square_ECMC
N=10000_h=0.8_rhoH=0.801_AF_triangle_ECMC
N=10000_h=0.8_rhoH=0.802_AF_square_ECMC
N=10000_h=0.8_rhoH=0.802_AF_triangle_ECMC
N=10000_h=0.8_rhoH=0.803_AF_square_ECMC
N=10000_h=0.8_rhoH=0.803_AF_triangle_ECMC
N=10000_h=0.8_rhoH=0.804_AF_square_ECMC
N=10000_h=0.8_rhoH=0.804_AF_triangle_ECMC
N=10000_h=0.8_rhoH=0.805_AF_square_ECMC
N=10000_h=0.8_rhoH=0.805_AF_triangle_ECMC
N=10000_h=0.8_rhoH=0.806_AF_square_ECMC

    This will deploy 11 run each on a different cpu core, each run will call run_functions.py.

  3. ECMC.sub The script that condor runs that tells it to take ecmc_lists.txt and create the runs. This is called by send_parametric_runs.py

  4. py_env.sh The script that tells Condor to call run_functions.py on each line.

  5. py_quench_env.sh I think this is a deprecated file that did something useful once.

simulation_results

The folder where the simulation results are saved, the run_functions.py script writes the results here. The post_process.py script reads the results from here.

deploy_post_processing_on_simulation_results_on_HTCondor

Same logic as deploy_simulations_on_HTCondor