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[test] Update Gromacs reference value #950

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Merged
merged 3 commits into from
Sep 28, 2019
Merged

[test] Update Gromacs reference value #950

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3599374
Update gromacs ref value
victorusu Sep 27, 2019
3c90b5c
Remove call to super().__init__() in Gromacs check
Sep 27, 2019
a0b5e1b
Merge branch 'master' into test/update-gromacs-ref
Sep 28, 2019
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32 changes: 3 additions & 29 deletions cscs-checks/apps/gromacs/gromacs_check.py
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Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,6 @@

class GromacsBaseCheck(rfm.RunOnlyRegressionTest):
def __init__(self, output_file):
super().__init__()
self.valid_prog_environs = ['PrgEnv-gnu']
self.executable = 'gmx_mpi'

Expand Down Expand Up @@ -45,7 +44,7 @@ def __init__(self, output_file):
self.tags = {'scs'}


@rfm.required_version('>=2.16')
@rfm.required_version('>=2.19')
@rfm.parameterized_test(*([s, v]
for s in ['small', 'large']
for v in ['prod', 'maint']))
Expand Down Expand Up @@ -90,7 +89,7 @@ def __init__(self, scale, variant):
self.tags |= {'maintenance' if variant == 'maint' else 'production'}


@rfm.required_version('>=2.16')
@rfm.required_version('>=2.19')
@rfm.parameterized_test(*([s, v]
for s in ['small', 'large']
for v in ['prod']))
Expand Down Expand Up @@ -123,7 +122,7 @@ def __init__(self, scale, variant):
},
'prod': {
'small': {
'dom:mc': {'perf': (42.7, -0.05, None, 'ns/day')},
'dom:mc': {'perf': (41.0, -0.05, None, 'ns/day')},
'daint:mc': {'perf': (38.8, -0.10, None, 'ns/day')}
},
'large': {
Expand All @@ -133,28 +132,3 @@ def __init__(self, scale, variant):
}
self.reference = references[variant][scale]
self.tags |= {'maintenance' if variant == 'maint' else 'production'}


# FIXME: This test is obsolete; it is kept only for reference.
@rfm.parameterized_test([1], [2], [4], [6], [8])
class GromacsCPUMonchAcceptance(GromacsBaseCheck):
def __init__(self, num_nodes):
super().__init__('md.log')

self.valid_systems = ['monch:compute']
self.descr = 'GROMACS %d-node CPU check on monch' % num_nodes
self.name = 'gromacs_cpu_monch_%d_node_check' % num_nodes
self.executable_opts = ('mdrun -dlb yes -ntomp 1 -npme -1 '
'-nsteps 5000 -nb cpu -s herflat.tpr ').split()

self.tags = {'monch_acceptance'}
self.num_tasks_per_node = 20
self.num_tasks = num_nodes * self.num_tasks_per_node

reference_by_nodes = {1: 2.6, 2: 5.1, 4: 11.1, 6: 15.8, 8: 20.6}

self.reference = {
'monch:compute': {
'perf': (reference_by_nodes[num_nodes], -0.15, None)
}
}