def inspect_init(self):
"""Use the initialization `PwCalculation` to determine the required resource and parallelization settings."""
calculation = self.ctx.calculation_init
if not calculation.is_finished_ok:
return self.exit_codes.ERROR_INITIALIZATION_CALCULATION_FAILED
# Get automated parallelization settings
parallelization = get_pw_parallelization_parameters(calculation, **self.ctx.automatic_parallelization)
# Note: don't do this at home, we are losing provenance here. This should be done by a calculation function
node = orm.Dict(dict=parallelization).store()
self.out('automatic_parallelization', node)
self.report('results of automatic parallelization in {}<{}>'.format(node.__class__.__name__, node.pk))
options = self.ctx.inputs.metadata['options']
base_resources = options.get('resources', {})
goal_resources = parallelization['resources']
scheduler = calculation.computer.get_scheduler()
resources = create_scheduler_resources(scheduler, base_resources, goal_resources)
cmdline = self.ctx.inputs.settings.get('cmdline', [])
cmdline = cmdline_remove_npools(cmdline)
cmdline.extend(['-nk', str(parallelization['npools'])])
# Set the new cmdline setting and resource options
self.ctx.inputs.settings['cmdline'] = cmdline
self.ctx.inputs.metadata['options'] = update_mapping(options, {'resources': resources})
# Remove the only initialization flag
self.ctx.inputs.settings.pop('ONLY_INITIALIZATION')
return
def inspect_init(self):
"""
Use the initialization PwCalculation to determine the required resource settings for the
requested calculation based on the settings in the automatic_parallelization input
"""
calculation = self.ctx.calculation_init
if not calculation.has_finished_ok():
self.abort_nowait(
'the initialization calculation did not finish successfully')
return
# Get automated parallelization settings
parallelization = get_pw_parallelization_parameters(
calculation, **self.ctx.automatic_parallelization)
node = ParameterData(dict=parallelization)
self.out('automatic_parallelization', node)
self.report('results of automatic parallelization in {}<{}>'.format(
node.__class__.__name__, node.pk))
options = self.ctx.inputs._options
base_resources = options.get('resources', {})
goal_resources = parallelization['resources']
scheduler = calculation.get_computer().get_scheduler()
resources = create_scheduler_resources(scheduler, base_resources,
goal_resources)
cmdline = self.ctx.inputs.settings.get('cmdline', [])
cmdline = cmdline_remove_npools(cmdline)
cmdline.extend(['-nk', str(parallelization['npools'])])
# Set the new cmdline setting and resource options
self.ctx.inputs.settings['cmdline'] = cmdline
self.ctx.inputs._options = update_mapping(options,
{'resources': resources})
# Remove the only initialization flag
self.ctx.inputs.settings.pop('ONLY_INITIALIZATION')
return
