haddock3 / data /tests /test_libhpc.py
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"""Test libhpc."""
import os
import pytest
import pytest_mock # noqa : F401
from pathlib import Path
from subprocess import CompletedProcess
from haddock.libs.libhpc import (
HPCWorker,
extract_slurm_status,
JOB_STATUS_DIC,
to_torque_time,
)
from haddock.libs.libsubprocess import CNSJob
def test_to_torque_time():
"""Test minutes to HH:MM:SS cast."""
assert to_torque_time(10) == '00:10:00'
assert to_torque_time(60) == '01:00:00'
assert to_torque_time(70) == '01:10:00'
assert to_torque_time(1510) == '25:10:00'
assert to_torque_time(6070) == '101:10:00'
@pytest.fixture
def slurm_scontrol_terminated_jobid():
return """JobId=42909924 JobName=proabc2.job
UserId=enmr(1095) GroupId=users(100) MCS_label=N/A
Priority=1 Nice=0 Account=(null) QOS=normal
JobState=RUNNING Reason=None Dependency=(null)
Requeue=1 Restarts=0 BatchFlag=1 Reboot=0 ExitCode=0:0
DerivedExitCode=0:0
RunTime=00:00:01 TimeLimit=04:00:00 TimeMin=N/A
SubmitTime=2023-10-17T10:03:01 EligibleTime=2023-10-17T10:03:01
AccrueTime=2023-10-17T10:03:01
StartTime=2023-10-17T10:03:02 EndTime=2023-10-17T14:03:02 Deadline=N/A
PreemptTime=None SuspendTime=None SecsPreSuspend=0
LastSchedEval=2023-10-17T10:03:02
Partition=short AllocNode:Sid=bianca:124111
ReqNodeList=(null) ExcNodeList=(null)
NodeList=node011
BatchHost=node011
NumNodes=1 NumCPUs=1 NumTasks=1 CPUs/Task=1 ReqB:S:C:T=0:0:*:*
TRES=cpu=1,node=1,billing=1
Socks/Node=* NtasksPerN:B:S:C=0:0:*:* CoreSpec=*
Nodes=node011 CPU_IDs=4 Mem=0 GRES_IDX=
MinCPUsNode=1 MinMemoryNode=0 MinTmpDiskNode=0
Features=(null) DelayBoot=00:00:00
OverSubscribe=OK Contiguous=0 Licenses=(null) Network=(null)
Command=/trinity/home/enmr/csb_webserver/data/runs/proabc2/nAO_3OnarD4a/proabc2.job
WorkDir=/trinity/home/enmr/csb_webserver/data/runs/proabc2
StdErr=/trinity/home/enmr/csb_webserver/data/runs/proabc2/nAO_3OnarD4a/proabc2.err
StdIn=/dev/null
StdOut=/trinity/home/enmr/csb_webserver/data/runs/proabc2/nAO_3OnarD4a/proabc2.out
Power=
"""
def test_slurm_status(slurm_scontrol_terminated_jobid):
status = extract_slurm_status(slurm_scontrol_terminated_jobid)
assert status == 'RUNNING'
assert JOB_STATUS_DIC[status] == 'running'
@pytest.fixture
def slurm_scontrol_wrongjobid():
return 'slurm_load_jobs error: Invalid job id specified'
def test_slurm_nojobid(slurm_scontrol_wrongjobid):
status = extract_slurm_status(slurm_scontrol_wrongjobid)
assert status == 'FAILED'
@pytest.fixture
def hpcworker(mocker):
"""Instanciate a HPCWorker object."""
mocker.patch(
"haddock.libs.libsubprocess.CNSJob.cns_exec",
return_value=None,
)
return HPCWorker(
tasks=[
CNSJob(
Path('rigidbody.inp'),
Path('rigidbody.out'),
envvars={
'MODDIR': '.',
'TOPPAR': 'topology_params',
'MODULE': 'rigidbody',
},
cns_exec=None,
),
],
num=1,
job_id=123456789,
workfload_manager='slurm',
queue=10,
)
def test_hpcworker_run(hpcworker, mocker):
"""Test the `run` function of a HPCWorker object."""
mocker.patch(
"subprocess.run",
return_value=CompletedProcess(
args=['sbatch', str(hpcworker.job_fname)],
returncode=0,
stdout=b'Submitted batch job 42914957',
stderr=b'',
)
)
hpcworker.run()
assert os.path.exists(hpcworker.job_fname)
os.remove(hpcworker.job_fname)
assert hpcworker.job_id == 42914957
assert hpcworker.job_status == 'submitted'
def test_hpcworker_update_status(
hpcworker,
slurm_scontrol_terminated_jobid,
mocker,
):
"""Test `update_status` function."""
mocker.patch(
"subprocess.run",
return_value=CompletedProcess(
args=['scontrol', 'show', 'jobid', '-dd', '42909924'],
returncode=0,
stdout=bytes(slurm_scontrol_terminated_jobid, 'utf-8'),
stderr=b'',
)
)
status = hpcworker.update_status()
assert status == hpcworker.job_status
assert status == 'running'