diff --git a/cscs-checks/apps/cp2k/cp2k_check.py b/cscs-checks/apps/cp2k/cp2k_check.py index 0e370dd6d7..94d4526065 100644 --- a/cscs-checks/apps/cp2k/cp2k_check.py +++ b/cscs-checks/apps/cp2k/cp2k_check.py @@ -11,6 +11,7 @@ class Cp2kCheck(rfm.RunOnlyRegressionTest): def __init__(self): self.valid_prog_environs = ['builtin'] + self.modules = ['CP2K'] self.executable = 'cp2k.psmp' self.executable_opts = ['H2O-256.inp'] @@ -35,7 +36,6 @@ def __init__(self): self.maintainers = ['LM'] self.tags = {'scs'} self.strict_check = False - self.modules = ['CP2K'] self.extra_resources = { 'switches': { 'num_switches': 1 @@ -91,16 +91,19 @@ def __init__(self, scale, variant): super().__init__() self.descr = 'CP2K GPU check (version: %s, %s)' % (scale, variant) self.valid_systems = ['daint:gpu'] - self.variables = {'CRAY_CUDA_MPS': '1'} - self.modules = ['CP2K'] self.num_gpus_per_node = 1 if scale == 'small': self.valid_systems += ['dom:gpu'] - self.num_tasks = 72 + self.num_tasks = 36 else: - self.num_tasks = 192 + self.num_tasks = 96 - self.num_tasks_per_node = 12 + self.num_tasks_per_node = 6 + self.num_cpus_per_task = 2 + self.variables = { + 'CRAY_CUDA_MPS': '1', + 'OMP_NUM_THREADS': str(self.num_cpus_per_task) + } references = { 'maint': { 'small': {