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cscs-checks/apps/namd/namd_check.py

Lines changed: 10 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -5,10 +5,10 @@
55

66

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class NamdBaseCheck(rfm.RunOnlyRegressionTest):
8-
def __init__(self, variant, **kwargs):
9-
super().__init__('namd_%s_check' % variant,
10-
os.path.dirname(__file__), **kwargs)
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self.descr = 'NAMD (%s) check' % variant
8+
def __init__(self, version, variant):
9+
super().__init__()
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self.name = 'namd_%s_%s_check' % (version, variant)
11+
self.descr = 'NAMD check (%s, %s)' % (version, variant)
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self.valid_prog_environs = ['PrgEnv-intel']
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@@ -59,13 +59,13 @@ def __init__(self, variant, **kwargs):
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@rfm.parameterized_test(['maint'], ['prod'])
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class NamdGPUCheck(NamdBaseCheck):
62-
def __init__(self, version, **kwargs):
63-
super().__init__('gpu_%s' % version, **kwargs)
62+
def __init__(self, variant):
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super().__init__('gpu', variant)
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self.valid_systems = ['daint:gpu', 'dom:gpu']
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self.executable_opts = '+idlepoll +ppn 23 stmv.namd'.split()
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self.num_cpus_per_task = 24
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self.num_gpus_per_node = 1
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if version == 'prod':
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if variant == 'prod':
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self.tags |= {'production'}
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else:
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self.tags |= {'maintenance'}
@@ -82,12 +82,12 @@ def __init__(self, version, **kwargs):
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@rfm.parameterized_test(['maint'], ['prod'])
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class NamdCPUCheck(NamdBaseCheck):
85-
def __init__(self, version, **kwargs):
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super().__init__('cpu_%s' % version, **kwargs)
85+
def __init__(self, variant):
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super().__init__('cpu', variant)
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self.valid_systems = ['daint:mc', 'dom:mc']
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self.executable_opts = '+idlepoll +ppn 71 stmv.namd'.split()
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self.num_cpus_per_task = 72
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if version == 'prod':
90+
if variant == 'prod':
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self.tags |= {'production'}
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else:
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self.tags |= {'maintenance'}

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