From f61d7c29f5fbb0257857f0a9ce9e996143e4d83a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Wed, 3 Jun 2026 10:36:19 +0200 Subject: [PATCH 1/5] run ulimit and env in pretestopts --- eb_hooks.py | 1 + 1 file changed, 1 insertion(+) diff --git a/eb_hooks.py b/eb_hooks.py index 0a22b2c2..8f94ea36 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -1526,6 +1526,7 @@ def pre_test_hook_gromacs(self, *args, **kwargs): """ cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR') if self.name == 'GROMACS': + self.cfg['pretestopts'] = 'env && ulimit -a && ' if self.version < '2026.3' and cpu_target == CPU_TARGET_NVIDIA_GRACE: self.cfg['pretestopts'] = 'export HWLOC_KEEP_NVIDIA_GPU_NUMA_NODES=0 && ' else: From e33572d216df7a42d0d8ef273d4afc5c1a91a348 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Wed, 3 Jun 2026 10:37:16 +0200 Subject: [PATCH 2/5] add easystack --- .../2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml new file mode 100644 index 00000000..54fecd14 --- /dev/null +++ b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml @@ -0,0 +1,4 @@ +easyconfigs: + - GROMACS-2025.4-foss-2025b-CUDA-12.9.1.eb: + options: + from-commit: 23228c21d24b49a10bd5a51f09e14f5484d7b67d From d9d8dfb41fac3854e0815796682b280ac89a8d2c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Wed, 3 Jun 2026 10:40:02 +0200 Subject: [PATCH 3/5] also run numactl --show --- eb_hooks.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/eb_hooks.py b/eb_hooks.py index 8f94ea36..8c2f6bed 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -1526,7 +1526,7 @@ def pre_test_hook_gromacs(self, *args, **kwargs): """ cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR') if self.name == 'GROMACS': - self.cfg['pretestopts'] = 'env && ulimit -a && ' + self.cfg['pretestopts'] = 'env && ulimit -a && numactl --show && ' if self.version < '2026.3' and cpu_target == CPU_TARGET_NVIDIA_GRACE: self.cfg['pretestopts'] = 'export HWLOC_KEEP_NVIDIA_GPU_NUMA_NODES=0 && ' else: From abc04211ea2dbe28037ab8ad8ce192e9c46d1691 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Wed, 3 Jun 2026 11:05:07 +0200 Subject: [PATCH 4/5] fix filename --- ...025.06-eb.5.3.0-2025b.yml => eessi-2025.06-eb-5.3.0-2025b.yml} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename easystacks/software.eessi.io/2025.06/accel/nvidia/{eessi-2025.06-eb.5.3.0-2025b.yml => eessi-2025.06-eb-5.3.0-2025b.yml} (100%) diff --git a/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml b/easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2025b.yml similarity index 100% rename from easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb.5.3.0-2025b.yml rename to easystacks/software.eessi.io/2025.06/accel/nvidia/eessi-2025.06-eb-5.3.0-2025b.yml From 7a1a3869b92ef8143b98c19dbe30cb61966c3f2b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Wed, 3 Jun 2026 13:26:45 +0200 Subject: [PATCH 5/5] print ulimit at start --- bot/build.sh | 3 +++ 1 file changed, 3 insertions(+) diff --git a/bot/build.sh b/bot/build.sh index 7c637aea..ad40bbf2 100755 --- a/bot/build.sh +++ b/bot/build.sh @@ -21,6 +21,9 @@ # stop as soon as something fails set -e +echo "ULIMITS:" +ulimit -a + # Make sure we are referring to software-layer as working directory software_layer_dir=$(dirname $(dirname $(realpath $0))) # source utils.sh and cfg_files.sh