| """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 |
| ) |
|
|
| |
| 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 |
|
|
