Merge branch 'master' into bugfix/serial-policy-crash

Author: vkarak

cscs-checks/apps/namd/namd_check.py

@@ -5,12 +5,11 @@
 
 
 class NamdBaseCheck(RunOnlyRegressionTest):
-    def __init__(self, variant='cpu', **kwargs):
+    def __init__(self, variant, **kwargs):
         super().__init__('namd_%s_check' % variant,
                          os.path.dirname(__file__), **kwargs)
         self.descr = 'NAMD 2.11 check (%s)' % variant
 
-        self.valid_systems = ['daint:mc', 'dom:mc']
         self.valid_prog_environs = ['PrgEnv-intel']
 
         self.modules = ['NAMD']
@@ -19,17 +18,6 @@ def __init__(self, variant='cpu', **kwargs):
         self.sourcesdir = os.path.join(self.current_system.resourcesdir,
                                        'NAMD')
         self.executable = 'namd2'
-        self.executable_opts = '+idlepoll +ppn 71 stmv.namd'.split()
-
-        self.use_multithreading = True
-        self.num_cpus_per_task = 72
-        self.num_tasks_per_core = 2
-        if self.current_system.name == 'dom':
-            self.num_tasks = 6
-            self.num_tasks_per_node = 1
-        else:
-            self.num_tasks = 16
-            self.num_tasks_per_node = 1
 
         energy = sn.avg(sn.extractall(r'ENERGY:(\s+\S+){10}\s+(?P<energy>\S+)',
                         self.stdout, 'energy', float))
@@ -41,14 +29,6 @@ def __init__(self, variant='cpu', **kwargs):
                          self.stdout, 'step_num')), 50),
             sn.assert_lt(energy_diff, 2720)
         ])
-        self.reference = {
-            'dom:mc': {
-                'days_ns': (0.49, None, 0.05),
-            },
-            'daint:mc': {
-                'days_ns': (0.27, None, 0.05),
-            },
-        }
 
         self.perf_patterns = {
             'days_ns': sn.avg(sn.extractall(
@@ -106,7 +86,52 @@ def __init__(self, **kwargs):
         }
 
 
+class NamdCPUCheck(NamdBaseCheck):
+    def __init__(self, version, **kwargs):
+        super().__init__('cpu_%s' % version, **kwargs)
+        self.valid_systems = ['daint:mc', 'dom:mc']
+        self.executable_opts = '+idlepoll +ppn 71 stmv.namd'.split()
+        self.use_multithreading = True
+        self.num_cpus_per_task = 72
+        self.num_tasks_per_core = 2
+        if self.current_system.name == 'dom':
+            self.num_tasks = 6
+            self.num_tasks_per_node = 1
+        else:
+            self.num_tasks = 16
+            self.num_tasks_per_node = 1
+
+
+class NamdCPUProdCheck(NamdCPUCheck):
+    def __init__(self, **kwargs):
+        super().__init__('prod', **kwargs)
+        self.tags |= {'production'}
+        self.reference = {
+            'dom:mc': {
+                'days_ns': (0.49, None, 0.05),
+            },
+            'daint:mc': {
+                'days_ns': (0.27, None, 0.05),
+            },
+        }
+
+
+class NamdCPUMaintCheck(NamdCPUCheck):
+    def __init__(self, **kwargs):
+        super().__init__('maint', **kwargs)
+        self.tags |= {'maintenance'}
+        self.reference = {
+            'dom:mc': {
+                'days_ns': (0.49, None, 0.05),
+            },
+            'daint:mc': {
+                'days_ns': (0.27, None, 0.05),
+            },
+        }
+
+
 def _get_checks(**kwargs):
-    return [NamdBaseCheck(**kwargs),
+    return [NamdCPUProdCheck(**kwargs),
+            NamdCPUMaintCheck(**kwargs),
             NamdGPUProdCheck(**kwargs),
             NamdGPUMaintCheck(**kwargs)]