STROOPWAFEL

Based on https://arxiv.org/abs/1905.00910

A short documentation of stroopwafel implementation can be found here -> https://docs.google.com/document/d/15To_ragEkT13gYitBoCdhq38Z97byrjGtS49Mq8cxG8

Installation

Make sure you have python3 installed in the system, if not it can be downloaded from https://www.python.org/downloads/.

To install this package simply run pip3 install stroopwafel. [ If you are installing on our slurm cluster helios, then python3 -m pip install --user stroopwafel should work if you dont have pip3 ]

This package has the following dependencies. They should be automatically installed for you when you install this package.

• numpy
• scipy

To test if its installed, go to python3. On the terminal: python3. Inside the python prompt, import stroopwafel should not throw any errors.

Running

Create a script similar to interface_genais.py in the test directory. Make sure you have the external application executable (such as COMPAS) defined in this script. Provide the other details and functions and run it using python filename.py.

Note that stroopwafel is independent of the external application and does not have to reside in the same directory.

Additionally you can pass in optional arguments in the command line:
optional arguments:
-h, --help show this help message and exit
--num_systems NUM_SYSTEMS Total number of systems
--num_cores NUM_CORES Number of cores to run in parallel
--num_per_core NUM_PER_CORE Number of systems to generate in one core
--debug DEBUG If debug of COMPAS is to be printed
--mc_only MC_ONLY If run in MC simulation mode only
--run_on_helios RUN_ON_HELIOS If we are running on helios (or other slurm) nodes
--output_filename OUTPUT_FILENAME Output filename