@@ -11,19 +11,17 @@ class VASPCheck(rfm.RunOnlyRegressionTest):
1111 def __init__ (self ):
1212 self .valid_prog_environs = ['builtin' ]
1313 self .modules = ['VASP' ]
14-
1514 force = sn .extractsingle (r'1 F=\s+(?P<result>\S+)' ,
1615 self .stdout , 'result' , float )
1716 self .sanity_patterns = sn .assert_reference (
18- force , - .85026214E+03 , - 1e-5 , 1e-5 )
17+ force , - .85026214E+03 , - 1e-5 , 1e-5
18+ )
1919 self .keep_files = ['OUTCAR' ]
20-
2120 self .perf_patterns = {
2221 'time' : sn .extractsingle (r'Total CPU time used \(sec\):'
2322 r'\s+(?P<time>\S+)' , 'OUTCAR' ,
2423 'time' , float )
2524 }
26-
2725 self .maintainers = ['LM' ]
2826 self .tags = {'scs' }
2927 self .strict_check = False
@@ -34,12 +32,11 @@ def __init__(self):
3432 }
3533
3634
37- @rfm .parameterized_test (* ([v ]
38- for v in ['maint' , 'prod' ]))
35+ @rfm .parameterized_test (* ([v ] for v in ['maint' , 'prod' ]))
3936class VASPCpuCheck (VASPCheck ):
4037 def __init__ (self , variant ):
4138 super ().__init__ ()
42- self .descr = 'VASP CPU check (version: %s)' % variant
39+ self .descr = f 'VASP CPU check (variant: { variant } )'
4340 self .valid_systems = ['daint:mc' , 'dom:mc' , 'eiger:mc' ]
4441 self .executable = 'vasp_std'
4542 if self .current_system .name == 'dom' :
@@ -75,7 +72,6 @@ def __init__(self, variant):
7572 'eiger:mc' : {'time' : (100.0 , None , 0.10 , 's' )}
7673 }
7774 }
78-
7975 self .reference = references [variant ]
8076 self .tags |= {'maintenance' if variant == 'maint' else 'production' }
8177
@@ -88,16 +84,14 @@ def set_cpu_binding(self):
8884 self .job .launcher .options = ['--cpu-bind=cores' ]
8985
9086
91- @rfm .parameterized_test (* ([v ]
92- for v in ['maint' , 'prod' ]))
87+ @rfm .parameterized_test (* ([v ] for v in ['maint' , 'prod' ]))
9388class VASPGpuCheck (VASPCheck ):
9489 def __init__ (self , variant ):
9590 super ().__init__ ()
96- self .descr = 'VASP GPU check (version: %s)' % variant
91+ self .descr = f 'VASP GPU check (variant: { variant } )'
9792 self .valid_systems = ['daint:gpu' , 'dom:gpu' ]
9893 self .executable = 'vasp_gpu'
9994 self .variables = {'CRAY_CUDA_MPS' : '1' }
100-
10195 self .num_gpus_per_node = 1
10296 if self .current_system .name == 'dom' :
10397 self .num_tasks = 6
@@ -116,6 +110,5 @@ def __init__(self, variant):
116110 'daint:gpu' : {'time' : (46.7 , None , 0.20 , 's' )},
117111 }
118112 }
119-
120113 self .reference = references [variant ]
121114 self .tags |= {'maintenance' if variant == 'maint' else 'production' }
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