From cffeedcba328be98aea4d13245578f34188a9189 Mon Sep 17 00:00:00 2001 From: Luca Date: Wed, 17 Apr 2024 11:45:06 +0200 Subject: [PATCH 1/2] Fix CPU threads with Slurm 23.02.7 --- checks/apps/namd/namd_check.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/checks/apps/namd/namd_check.py b/checks/apps/namd/namd_check.py index 2e438ad96..be06d5c06 100644 --- a/checks/apps/namd/namd_check.py +++ b/checks/apps/namd/namd_check.py @@ -77,6 +77,12 @@ def setup_parallel_run(self): self.num_tasks = 16 self.num_tasks_per_node = 1 + # Fix threads per task on Pilatus with Slurm 23.02.7 + if self.current_system.name in ['pilatus']: + self.env_vars = { + 'SRUN_CPUS_PER_TASK': '2' + } + @run_before('compile') def prepare_build(self): # Reset sources dir relative to the SCS apps prefix From e4a624e27ff5adf3eb235c3fa35bd11d7516914d Mon Sep 17 00:00:00 2001 From: Luca Date: Wed, 17 Apr 2024 12:27:53 +0200 Subject: [PATCH 2/2] Set cpus per tasks to work with Slurm 23.02.7 --- checks/apps/namd/namd_check.py | 9 ++------- 1 file changed, 2 insertions(+), 7 deletions(-) diff --git a/checks/apps/namd/namd_check.py b/checks/apps/namd/namd_check.py index be06d5c06..3d981153f 100644 --- a/checks/apps/namd/namd_check.py +++ b/checks/apps/namd/namd_check.py @@ -58,6 +58,7 @@ def setup_parallel_run(self): # On Eiger a no-smp NAMD version is the default if self.current_system.name in ['eiger', 'pilatus']: self.executable_opts = ['+idlepoll', 'stmv.namd'] + self.num_cpus_per_task = 2 else: self.executable_opts = ['+idlepoll', '+ppn 71', 'stmv.namd'] self.num_cpus_per_task = 72 @@ -77,12 +78,6 @@ def setup_parallel_run(self): self.num_tasks = 16 self.num_tasks_per_node = 1 - # Fix threads per task on Pilatus with Slurm 23.02.7 - if self.current_system.name in ['pilatus']: - self.env_vars = { - 'SRUN_CPUS_PER_TASK': '2' - } - @run_before('compile') def prepare_build(self): # Reset sources dir relative to the SCS apps prefix @@ -128,7 +123,7 @@ def set_reference(self): self.reference = { 'daint:mc': {'days_ns': (0.425, None, 0.10, 'days/ns')}, 'eiger:mc': {'days_ns': (0.057, None, 0.05, 'days/ns')}, - 'pilatus:mc': {'days_ns': (0.054, None, 0.05, 'days/ns')} + 'pilatus:mc': {'days_ns': (0.054, None, 0.10, 'days/ns')} } @performance_function('days/ns')