Source code for aiida.schedulers.plugins.torque

# -*- coding: utf-8 -*-
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved.                     #
# This file is part of the AiiDA code.                                    #
#                                                                         #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida-core #
# For further information on the license, see the LICENSE.txt file        #
# For further information please visit http://www.aiida.net               #
###########################################################################
"""
Plugin for PBS/Torque.
This has been tested on Torque v.2.4.16 (from Ubuntu).
"""
import logging

from .pbsbaseclasses import PbsBaseClass

_LOGGER = logging.getLogger(__name__)

## These are instead the states from PBS/Torque v.2.4.16 (from Ubuntu)
# C -  Job is completed after having run [different from above, but not clashing]
# E -  Job is exiting after having run. [same as above]
# H -  Job is held. [same as above]
# Q -  job is queued, eligible to run or routed. [same as above]
# R -  job is running. [same as above]
# T -  job is being moved to new location. [same as above]
# W -  job is waiting for its execution time
#     (-a option) to be reached. [similar to above]
# S -  (Unicos only) job is suspend. [as above]


[docs]class TorqueScheduler(PbsBaseClass): """ Subclass to support the Torque scheduler.. I redefine only what needs to change from the base class """ ## I don't need to change this from the base class # _job_resource_class = PbsJobResource ## For the time being I use a common dictionary, should be sufficient ## for the time being, but I can redefine it if needed. # _map_status = _map_status_pbs_common
[docs] def _get_resource_lines( self, num_machines, num_mpiprocs_per_machine, num_cores_per_machine, max_memory_kb, max_wallclock_seconds ): """ Return the lines for machines, memory and wallclock relative to pbspro. """ return_lines = [] select_string = f'nodes={num_machines}' if num_cores_per_machine: select_string += f':ppn={num_cores_per_machine}' elif num_mpiprocs_per_machine: # if num_cores_per_machine is not defined then use # num_mpiprocs_per_machine select_string += f':ppn={num_mpiprocs_per_machine}' if max_wallclock_seconds is not None: try: tot_secs = int(max_wallclock_seconds) if tot_secs <= 0: raise ValueError except ValueError: raise ValueError( 'max_wallclock_seconds must be ' "a positive integer (in seconds)! It is instead '{}'" ''.format(max_wallclock_seconds) ) hours = tot_secs // 3600 tot_minutes = tot_secs % 3600 minutes = tot_minutes // 60 seconds = tot_minutes % 60 # There is always something before, at least the total # # of nodes select_string += f',walltime={hours:02d}:{minutes:02d}:{seconds:02d}' if max_memory_kb: try: physical_memory_kb = int(max_memory_kb) if physical_memory_kb <= 0: raise ValueError except ValueError: raise ValueError( 'max_memory_kb must be ' "a positive integer (in kB)! It is instead '{}'" ''.format((max_memory_kb)) ) # There is always something before, at least the total # # of nodes select_string += f',mem={physical_memory_kb}kb' return_lines.append(f'#PBS -l {select_string}') return return_lines