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 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 diff --git a/eb_hooks.py b/eb_hooks.py index 0a22b2c2..8c2f6bed 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 && 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: