def test_create_job_resource():
"""
Test to verify that script fails in the following cases:
* if we specify only num_machines
* if tot_num_mpiprocs is not an int (and can't be casted to one)
* if parallel_env is not a str
"""
from aiida.schedulers.datastructures import JobTemplate
scheduler = LsfScheduler()
job_tmpl = JobTemplate()
with pytest.raises(TypeError):
job_tmpl.job_resource = scheduler.create_job_resource(
tot_num_mpiprocs='Not-a-Number')
with pytest.raises(TypeError):
job_tmpl.job_resource = scheduler.create_job_resource(
num_machines=1,
num_mpiprocs_per_machine=1,
)
with pytest.raises(TypeError):
job_tmpl.job_resource = scheduler.create_job_resource(
tot_num_mpiprocs=2,
parallel_env=0,
)
def test_submit_script(self):
"""
Test the creation of a simple submission script.
"""
from aiida.schedulers.datastructures import JobTemplate
from aiida.common.datastructures import CodeInfo, CodeRunMode
scheduler = LsfScheduler()
job_tmpl = JobTemplate()
job_tmpl.shebang = '#!/bin/bash'
job_tmpl.uuid = str(uuid.uuid4())
job_tmpl.job_resource = scheduler.create_job_resource(
tot_num_mpiprocs=2, parallel_env='b681e480bd.cern.ch')
job_tmpl.max_wallclock_seconds = 24 * 3600
code_info = CodeInfo()
code_info.cmdline_params = [
'mpirun', '-np', '2', 'pw.x', '-npool', '1'
]
code_info.stdin_name = 'aiida.in'
job_tmpl.codes_info = [code_info]
job_tmpl.codes_run_mode = CodeRunMode.SERIAL
submit_script_text = scheduler.get_submit_script(job_tmpl)
self.assertTrue(submit_script_text.startswith('#!/bin/bash'))
self.assertTrue('#BSUB -rn' in submit_script_text)
self.assertTrue('#BSUB -W 24:00' in submit_script_text)
self.assertTrue('#BSUB -n 2' in submit_script_text)
self.assertTrue("'mpirun' '-np' '2' 'pw.x' '-npool' '1'" +
" < 'aiida.in'" in submit_script_text)
def test_job_tmpl_errors():
"""Test the raising of the appropriate errors"""
from aiida.schedulers.datastructures import JobTemplate
from aiida.common.datastructures import CodeRunMode
scheduler = LsfScheduler()
job_tmpl = JobTemplate()
# Raises for missing resources with tot_num_mpiprocs
with pytest.raises(ValueError):
scheduler.get_submit_script(job_tmpl)
job_tmpl.job_resource = scheduler.create_job_resource(tot_num_mpiprocs=2)
job_tmpl.codes_info = []
# Raises for missing codes_run_mode
with pytest.raises(NotImplementedError):
scheduler.get_submit_script(job_tmpl)
job_tmpl.codes_run_mode = CodeRunMode.SERIAL
# Incorrect setups
job_tmpl.max_wallclock_seconds = 'Not-a-Number'
with pytest.raises(ValueError):
scheduler.get_submit_script(job_tmpl)
job_tmpl.pop('max_wallclock_seconds')
job_tmpl.max_memory_kb = 'Not-a-Number'
with pytest.raises(ValueError):
scheduler.get_submit_script(job_tmpl)
job_tmpl.pop('max_memory_kb')
# Verify minimal working parameters don't raise
scheduler.get_submit_script(job_tmpl)
def test_submit_script_with_num_machines(self):
"""
Test to verify that script fails if we specify only
num_machines.
"""
from aiida.schedulers.datastructures import JobTemplate
scheduler = LsfScheduler()
job_tmpl = JobTemplate()
with self.assertRaises(TypeError):
job_tmpl.job_resource = scheduler.create_job_resource(
num_machines=1,
num_mpiprocs_per_machine=1,
)