# -*- 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 = 'select={}'.format(num_machines)
if num_mpiprocs_per_machine:
select_string += ':mpiprocs={}'.format(num_mpiprocs_per_machine)
if num_cores_per_machine:
select_string += ':ppn={}'.format(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('#PBS -l walltime={:02d}:{:02d}:{:02d}'.format(hours, minutes, seconds))
if max_memory_kb:
try:
virtual_memory_kb = int(max_memory_kb)
if virtual_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 += ':mem={}kb'.format(virtual_memory_kb)
return_lines.append('#PBS -l {}'.format(select_string))
return return_lines