# -*- 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 PBSPro. This has been tested on PBSPro v. 12. """ import logging from .pbsbaseclasses import PbsBaseClass _LOGGER = logging.getLogger(__name__) # This maps PbsPro status letters to our own status list ## List of states from the man page of qstat # B Array job has at least one subjob running. # E Job is exiting after having run. # F Job is finished. # H Job is held. # M Job was moved to another server. # Q Job is queued. # R Job is running. # S Job is suspended. # T Job is being moved to new location. # U Cycle-harvesting job is suspended due to keyboard activity. # W Job is waiting for its submitter-assigned start time to be reached. # X Subjob has completed execution or has been deleted. [docs]class PbsproScheduler(PbsBaseClass): """ Subclass to support the PBSPro scheduler (http://www.pbsworks.com/). 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. """ # Note: num_cores_per_machine is not used here but is provided by # the parent class ('_get_submit_script_header') method return_lines = [] select_string = f'select={num_machines}' if num_mpiprocs_per_machine: select_string += f':mpiprocs={num_mpiprocs_per_machine}' if num_cores_per_machine: select_string += f':ppn={num_cores_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 return_lines.append(f'#PBS -l 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)) ) select_string += f':mem={physical_memory_kb}kb' return_lines.append(f'#PBS -l {select_string}') return return_lines