Source code for aiida_fireworks_scheduler.scripts.arlaunch_run

"""
A runnable script to launch a single Rocket (a command-line interface to rocket_launcher.py)
Modify from the original rlaunch.py script in Fireworks package
"""
import os
import signal
import sys
from argparse import ArgumentParser

from fireworks.fw_config import LAUNCHPAD_LOC, CONFIG_FILE_DIR
from fireworks.core.launchpad import LaunchPad
from fireworks.core.rocket_launcher import rapidfire, launch_rocket
from fireworks.utilities.fw_utilities import get_my_host, get_my_ip, get_fw_logger
from fireworks.features.multi_launcher import launch_multiprocess

from aiida_fireworks_scheduler.fworker import AiiDAFWorker

#pylint: disable=too-many-statements,line-too-long,import-outside-toplevel


[docs]def handle_interrupt(signum, frame): """Handler for interruption""" del frame sys.stderr.write("Interruped by signal {:d}\n".format(signum)) sys.exit(1)
[docs]def arlaunch(): """ Function rapid-fire job launching """ m_description = 'This program launches one or more Rockets. A Rocket retrieves a job from the ' \ 'central database and runs it. The "single-shot" option launches a single Rocket, ' \ 'whereas the "rapidfire" option loops until all FireWorks are completed.' parser = ArgumentParser(description=m_description) subparsers = parser.add_subparsers(help='command', dest='command') single_parser = subparsers.add_parser('singleshot', help='launch a single Rocket') rapid_parser = subparsers.add_parser( 'rapidfire', help='launch multiple Rockets (loop until all FireWorks complete)') multi_parser = subparsers.add_parser( 'multi', help='launches multiple Rockets simultaneously') single_parser.add_argument('-f', '--fw_id', help='specific fw_id to run', default=None, type=int) single_parser.add_argument('--offline', help='run in offline mode (FW.json required)', action='store_true') single_parser.add_argument('--pdb', help='shortcut to invoke debugger on error', action='store_true') rapid_parser.add_argument('--nlaunches', help='num_launches (int or "infinite"; ' 'default 0 is all jobs in DB)', default=0) rapid_parser.add_argument( '--timeout', help='timeout (secs) after which to quit (default None)', default=None, type=int) rapid_parser.add_argument( '--max_loops', help='after this many sleep loops, quit even in ' 'infinite nlaunches mode (default -1 is infinite loops)', default=-1, type=int) rapid_parser.add_argument('--sleep', help='sleep time between loops (secs)', default=None, type=int) rapid_parser.add_argument( '--local_redirect', help="Redirect stdout and stderr to the launch directory", action="store_true") multi_parser.add_argument('num_jobs', help='the number of jobs to run in parallel', type=int) multi_parser.add_argument('--nlaunches', help='number of FireWorks to run in series per ' 'parallel job (int or "infinite"; default 0 is ' 'all jobs in DB)', default=0) multi_parser.add_argument( '--sleep', help='sleep time between loops in infinite launch mode' '(secs)', default=None, type=int) multi_parser.add_argument( '--timeout', help='timeout (secs) after which to quit (default None)', default=None, type=int) multi_parser.add_argument( '--nodefile', help='nodefile name or environment variable name ' 'containing the node file name (for populating' ' FWData only)', default=None, type=str) multi_parser.add_argument( '--ppn', help='processors per node (for populating FWData only)', default=1, type=int) multi_parser.add_argument('--exclude_current_node', help="Don't use the script launching node" "as compute node", action="store_true") multi_parser.add_argument( '--local_redirect', help="Redirect stdout and stderr to the launch directory", action="store_true") parser.add_argument('-l', '--launchpad_file', help='path to launchpad file') parser.add_argument('-w', '--fworker_file', required=True, help='path to fworker file') parser.add_argument('-c', '--config_dir', help='path to a directory containing the config file ' '(used if -l, -w unspecified)', default=CONFIG_FILE_DIR) parser.add_argument('--loglvl', help='level to print log messages', default='INFO') parser.add_argument('-s', '--silencer', help='shortcut to mute log messages', action='store_true') try: import argcomplete argcomplete.autocomplete(parser) # This supports bash autocompletion. To enable this, pip install # argcomplete, activate global completion, or add # eval "$(register-python-argcomplete rlaunch)" # into your .bash_profile or .bashrc except ImportError: pass args = parser.parse_args() signal.signal(signal.SIGINT, handle_interrupt) # graceful exit on ^C if not args.launchpad_file and os.path.exists( os.path.join(args.config_dir, 'my_launchpad.yaml')): args.launchpad_file = os.path.join(args.config_dir, 'my_launchpad.yaml') elif not args.launchpad_file: args.launchpad_file = LAUNCHPAD_LOC args.loglvl = 'CRITICAL' if args.silencer else args.loglvl if args.command == 'singleshot' and args.offline: launchpad = None else: launchpad = LaunchPad.from_file( args.launchpad_file) if args.launchpad_file else LaunchPad( strm_lvl=args.loglvl) fworker = AiiDAFWorker.from_file(args.fworker_file) # prime addr lookups _log = get_fw_logger("rlaunch", stream_level="INFO") _log.info("Hostname/IP lookup (this will take a few seconds)") get_my_host() get_my_ip() if args.command == 'rapidfire': rapidfire(launchpad, fworker=fworker, m_dir=None, nlaunches=args.nlaunches, max_loops=args.max_loops, sleep_time=args.sleep, strm_lvl=args.loglvl, timeout=args.timeout, local_redirect=args.local_redirect) elif args.command == 'multi': total_node_list = None if args.nodefile: if args.nodefile in os.environ: args.nodefile = os.environ[args.nodefile] with open(args.nodefile, 'r') as fhandle: total_node_list = [ line.strip() for line in fhandle.readlines() ] launch_multiprocess(launchpad, fworker, args.loglvl, args.nlaunches, args.num_jobs, args.sleep, total_node_list, args.ppn, timeout=args.timeout, exclude_current_node=args.exclude_current_node, local_redirect=args.local_redirect) else: launch_rocket(launchpad, fworker, args.fw_id, args.loglvl, pdb_on_exception=args.pdb)
if __name__ == '__main__': arlaunch()