Slurm

Module for preparing files necessary to run simulations using the SLURM workload manager.

run_slurm_prep(dir_work, path_slurm_write, simlify_config)

Prepares the necessary files for running simulations using the SLURM workload manager.

This function takes a working directory, a path for the SLURM submission script, and the Simlify configuration. It ensures that the working directory exists and then renders a SLURM submission script based on the SLURM configuration found within the provided simlify_config. This script is then written to the specified path within the working directory.

PARAMETER	DESCRIPTION
dir_work	The absolute or relative path to the local directory where the simulation files, including the SLURM submission script, will be written. This directory will be created if it does not already exist. TYPE: str
path_slurm_write	The path to write the SLURM submission script, relative to the dir_work. For example, if dir_work is /home/user/simulations and path_slurm_write is submit.sh, the script will be written to /home/user/simulations/submit.sh. TYPE: str
simlify_config	An instance of the Simlify configuration object, which should contain a slurm attribute with the configuration details for generating the SLURM submission script. TYPE: SimlifyConfig

RAISES	DESCRIPTION
OSError	If there is an error creating the working directory or writing the SLURM submission script.

Examples:

To prepare SLURM files for a simulation in the directory "my_simulation" and write the submission script to "submit.sh":

>>> from simlify import SimlifyConfig
>>> config = SimlifyConfig()
>>> run_slurm_prep(
...     dir_work="my_simulation",
...     path_slurm_write="submit.sh",
...     simlify_config=config,
... )