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62 changes: 27 additions & 35 deletions cscs-checks/apps/lammps/lammps_check.py
Original file line number Diff line number Diff line change
@@ -1,13 +1,12 @@
import os

import reframe as rfm
import reframe.utility.sanity as sn
from reframe.core.pipeline import RunOnlyRegressionTest


class LAMMPSBaseCheck(RunOnlyRegressionTest):
def __init__(self, name, **kwargs):
super().__init__(name, os.path.dirname(__file__), **kwargs)

class LAMMPSBaseCheck(rfm.RunOnlyRegressionTest):
def __init__(self):
super().__init__()
self.valid_prog_environs = ['PrgEnv-gnu']
self.modules = ['LAMMPS']

Expand All @@ -27,27 +26,24 @@ def __init__(self, name, **kwargs):
sn.assert_found(r'Total wall time:', self.stdout),
sn.assert_lt(energy_diff, 6e-4)
])
self.maintainers = ['TR', 'VH']
self.strict_check = False
self.tags = {'scs'}
self.extra_resources = {
'switches': {
'num_switches': 1
}
}

self.tags = {'scs'}
self.maintainers = ['TR', 'VH']

class LAMMPSGPUCheck(LAMMPSBaseCheck):
def __init__(self, variant, **kwargs):
super().__init__('lammps_gpu_%s_check' % variant, **kwargs)

class LAMMPSGPUCheck(LAMMPSBaseCheck):
def __init__(self):
super().__init__()
self.valid_systems = ['daint:gpu', 'dom:gpu']
self.descr = 'LAMMPS GPU check'

self.executable = 'lmp_mpi'
self.executable_opts = '-sf gpu -pk gpu 1 -in in.lj.gpu'.split()
self.variables = {'CRAY_CUDA_MPS': '1'}

self.num_gpus_per_node = 1
if self.current_system.name == 'dom':
self.num_tasks = 12
Expand All @@ -57,44 +53,44 @@ def __init__(self, variant, **kwargs):
self.num_tasks_per_node = 2


@rfm.simple_test
class LAMMPSGPUMaintCheck(LAMMPSGPUCheck):
def __init__(self, **kwargs):
super().__init__(variant='maint', **kwargs)
self.tags |= {'maintenance'}
def __init__(self):
super().__init__()
self.reference = {
'dom:gpu': {
'perf': (3457.0, -0.05, None)
'perf': (3457.0, -0.10, None)
},
'daint:gpu': {
'perf': (4718.0, -0.10, None)
},
}

self.tags |= {'maintenance'}


@rfm.simple_test
class LAMMPSGPUProdCheck(LAMMPSGPUCheck):
def __init__(self, **kwargs):
super().__init__(variant='prod', **kwargs)
self.tags |= {'production'}
def __init__(self):
super().__init__()
self.reference = {
'dom:gpu': {
'perf': (3360.0, -0.05, None)
'perf': (3360.0, -0.10, None)
},
'daint:gpu': {
'perf': (2382.0, -0.50, None)
},
}

self.tags |= {'production'}

class LAMMPSCPUCheck(LAMMPSBaseCheck):
def __init__(self, variant, **kwargs):
super().__init__('lammps_cpu_%s_check' % variant, **kwargs)

class LAMMPSCPUCheck(LAMMPSBaseCheck):
def __init__(self):
super().__init__()
self.valid_systems = ['daint:mc', 'dom:mc']
self.descr = 'LAMMPS CPU check'

self.executable = 'lmp_omp'
self.executable_opts = '-sf omp -pk omp 1 -in in.lj.cpu'.split()

if self.current_system.name == 'dom':
self.num_tasks = 216
self.num_tasks_per_node = 36
Expand All @@ -103,10 +99,10 @@ def __init__(self, variant, **kwargs):
self.num_tasks = 576


@rfm.simple_test
class LAMMPSCPUProdCheck(LAMMPSCPUCheck):
def __init__(self, **kwargs):
super().__init__('prod', **kwargs)
self.tags |= {'production'}
def __init__(self):
super().__init__()
self.reference = {
'dom:mc': {
'perf': (4454.0, -0.05, None)
Expand All @@ -116,8 +112,4 @@ def __init__(self, **kwargs):
},
}


def _get_checks(**kwargs):
return [LAMMPSGPUMaintCheck(**kwargs),
LAMMPSGPUProdCheck(**kwargs),
LAMMPSCPUProdCheck(**kwargs)]
self.tags |= {'production'}