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[test] Port QuantumESPRESSO checks to Eiger #1750

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Merged
merged 4 commits into from
Feb 16, 2021
Merged

[test] Port QuantumESPRESSO checks to Eiger #1750

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661fd16
QuantumESPRESSO on Eiger
Feb 5, 2021
b372fc0
Address pep8speaks Line 121:1: W293 blank line contains whitespace
Feb 5, 2021
218bbc9
Update cscs-checks/apps/quantumespresso/quantumespresso_check.py
lucamar Feb 15, 2021
ae97ab5
Merge branch 'master' into qe-eiger
Feb 16, 2021
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55 changes: 46 additions & 9 deletions cscs-checks/apps/quantumespresso/quantumespresso_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,17 +39,43 @@ class QuantumESPRESSOCpuCheck(QuantumESPRESSOCheck):
def __init__(self, scale, variant):
super().__init__()
self.descr = f'QuantumESPRESSO CPU check (version: {scale}, {variant})'
self.valid_systems = ['daint:mc']
self.valid_systems = ['daint:mc', 'eiger:mc']
self.modules = ['QuantumESPRESSO']
if scale == 'small':
self.valid_systems += ['dom:mc']
self.num_tasks = 216
energy_reference = -11427.09017218
if self.current_system.name in ['daint', 'dom']:
self.num_tasks = 216
self.num_tasks_per_node = 36
elif self.current_system.name == 'eiger':
self.num_tasks = 96
self.num_tasks_per_node = 16
self.num_cpus_per_task = 16
self.num_tasks_per_core = 1
self.use_multithreading = False
self.variables = {
'MPICH_OFI_STARTUP_CONNECT': '1',
'OMP_NUM_THREADS': '8',
'OMP_PLACES': 'cores',
'OMP_PROC_BIND': 'close'
}
else:
self.num_tasks = 576
energy_reference = -11427.09017152

self.num_tasks_per_node = 36
if self.current_system.name in ['daint']:
self.num_tasks = 576
self.num_tasks_per_node = 36
elif self.current_system.name in ['eiger']:
self.num_tasks = 256
self.num_tasks_per_node = 16
self.num_cpus_per_task = 16
self.num_tasks_per_core = 1
self.use_multithreading = False
self.variables = {
'MPICH_OFI_STARTUP_CONNECT': '1',
'OMP_NUM_THREADS': '8',
'OMP_PLACES': 'cores',
'OMP_PROC_BIND': 'close'
}

energy = sn.extractsingle(r'!\s+total energy\s+=\s+(?P<energy>\S+) Ry',
self.stdout, 'energy', float)
Expand All @@ -65,26 +91,37 @@ def __init__(self, scale, variant):
'maint': {
'small': {
'dom:mc': {'time': (115.0, None, 0.05, 's')},
'daint:mc': {'time': (115.0, None, 0.10, 's')}
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (66.0, None, 0.10, 's')}
},
'large': {
'daint:mc': {'time': (115.0, None, 0.10, 's')}
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (53.0, None, 0.10, 's')}
}
},
'prod': {
'small': {
'dom:mc': {'time': (115.0, None, 0.05, 's')},
'daint:mc': {'time': (115.0, None, 0.10, 's')}
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (66.0, None, 0.10, 's')}
},
'large': {
'daint:mc': {'time': (115.0, None, 0.10, 's')}
'daint:mc': {'time': (115.0, None, 0.10, 's')},
'eiger:mc': {'time': (53.0, None, 0.10, 's')}
}
}
}

self.reference = references[variant][scale]
self.tags |= {'maintenance' if variant == 'maint' else 'production'}

@rfm.run_before('run')
def set_task_distribution(self):
self.job.options = ['--distribution=block:block']

@rfm.run_before('run')
def set_cpu_binding(self):
self.job.launcher.options = ['--cpu-bind=cores']

@rfm.parameterized_test(*([s, v]
for s in ['small', 'large']
Expand Down