From 63b19edf0836e386ac1d54b3365174f0408f6ed8 Mon Sep 17 00:00:00 2001 From: Luca Date: Fri, 8 May 2020 20:03:44 +0200 Subject: [PATCH 1/3] New setup for GPU and new modules --- cscs-checks/apps/cp2k/cp2k_check.py | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/cscs-checks/apps/cp2k/cp2k_check.py b/cscs-checks/apps/cp2k/cp2k_check.py index 0e370dd6d7..f2cefe5ab8 100644 --- a/cscs-checks/apps/cp2k/cp2k_check.py +++ b/cscs-checks/apps/cp2k/cp2k_check.py @@ -35,7 +35,6 @@ def __init__(self): self.maintainers = ['LM'] self.tags = {'scs'} self.strict_check = False - self.modules = ['CP2K'] self.extra_resources = { 'switches': { 'num_switches': 1 @@ -51,6 +50,7 @@ def __init__(self, scale, variant): super().__init__() self.descr = 'CP2K CPU check (version: %s, %s)' % (scale, variant) self.valid_systems = ['daint:mc'] + self.modules = ['CP2K/7.1-CrayGNU-19.10'] if scale == 'small': self.valid_systems += ['dom:mc'] self.num_tasks = 216 @@ -91,16 +91,20 @@ 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.modules = ['CP2K/7.1-CrayGNU-19.10-cuda-10.1'] 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': { From a80eec47e982b3820bc708a86c0a0511b219407a Mon Sep 17 00:00:00 2001 From: Luca Date: Fri, 8 May 2020 20:36:16 +0200 Subject: [PATCH 2/3] Removing trailing whitespaces on lines 102 and 103 --- cscs-checks/apps/cp2k/cp2k_check.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/cscs-checks/apps/cp2k/cp2k_check.py b/cscs-checks/apps/cp2k/cp2k_check.py index f2cefe5ab8..4c60156e80 100644 --- a/cscs-checks/apps/cp2k/cp2k_check.py +++ b/cscs-checks/apps/cp2k/cp2k_check.py @@ -99,8 +99,8 @@ def __init__(self, scale, variant): else: self.num_tasks = 96 - self.num_tasks_per_node = 6 - self.num_cpus_per_task = 2 + 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) From dcdb5ce05d78c937a87a0e7bfe8810a79a1a6a1d Mon Sep 17 00:00:00 2001 From: lucamar Date: Thu, 14 May 2020 12:46:06 +0200 Subject: [PATCH 3/3] Update cp2k_check.py Reverting back to default CP2K modulefile for gpu and mc checks --- cscs-checks/apps/cp2k/cp2k_check.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/cscs-checks/apps/cp2k/cp2k_check.py b/cscs-checks/apps/cp2k/cp2k_check.py index 4c60156e80..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'] @@ -50,7 +51,6 @@ def __init__(self, scale, variant): super().__init__() self.descr = 'CP2K CPU check (version: %s, %s)' % (scale, variant) self.valid_systems = ['daint:mc'] - self.modules = ['CP2K/7.1-CrayGNU-19.10'] if scale == 'small': self.valid_systems += ['dom:mc'] self.num_tasks = 216 @@ -91,7 +91,6 @@ def __init__(self, scale, variant): super().__init__() self.descr = 'CP2K GPU check (version: %s, %s)' % (scale, variant) self.valid_systems = ['daint:gpu'] - self.modules = ['CP2K/7.1-CrayGNU-19.10-cuda-10.1'] self.num_gpus_per_node = 1 if scale == 'small': self.valid_systems += ['dom:gpu']