"""Module in charge of MPI execution of tasks.""" import pickle import shlex import subprocess import sys from pathlib import Path from typing import Any, Optional from shutil import which from haddock import log from haddock.core.exceptions import HaddockTermination class MPIScheduler: """Schedules tasks to be executed via MPI.""" def __init__(self, tasks: list[Any], ncores: Optional[int] = None) -> None: self.tasks = tasks self.cwd = Path.cwd() self.ncores = ncores def run(self) -> None: """Send it to the haddock3-mpitask runner.""" pkl_tasks = self._pickle_tasks() log.info( f"Executing tasks with the haddock3-mpitask runner using " f"{self.ncores} processors..." ) if which("mpirun") is not None: cmd = f"mpirun -np {self.ncores} haddock3-mpitask {pkl_tasks}" elif which("srun") is not None: cmd = f"srun haddock3-mpitask {pkl_tasks}" else: log.error("mpirun or srun are not available on the system") log.error("Terminating run!") raise HaddockTermination log.debug(f"MPI cmd is {cmd}") p = subprocess.run( shlex.split(cmd), stdout=subprocess.PIPE, stderr=subprocess.PIPE ) # out = p.stdout.decode("utf-8") err = p.stderr.decode("utf-8") if err: log.error(err) log.error("Terminating run!") raise HaddockTermination def _pickle_tasks(self) -> Path: """Pickle the tasks.""" fpath = Path(self.cwd, "mpi.pkl") log.debug(f"Pickling the tasks at {fpath}") with open(fpath, "wb") as output_handler: pickle.dump(self.tasks, output_handler) return fpath