From d506eed4c77e427ae72cfd2f751a502c435f17d6 Mon Sep 17 00:00:00 2001
From: Matthias Krack <matthias.krack@psi.ch>
Date: Thu, 3 Jul 2025 13:41:45 +0200
Subject: [PATCH] Partial revert last commit; set number of threads

---
 ci/cscs_eiger_spack_psmp.yaml     | 2 +-
 ci/cscs_eiger_spack_ssmp.yaml     | 5 ++---
 ci/cscs_eiger_toolchain_psmp.yaml | 5 ++---
 3 files changed, 5 insertions(+), 7 deletions(-)

diff --git a/ci/cscs_eiger_spack_psmp.yaml b/ci/cscs_eiger_spack_psmp.yaml
index 01e4dc1481..f989ac9269 100644
--- a/ci/cscs_eiger_spack_psmp.yaml
+++ b/ci/cscs_eiger_spack_psmp.yaml
@@ -68,7 +68,7 @@ test cp2k eiger:
   needs: ["build cp2k eiger"]
   timeout: 1h
   script:
-    - podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
+    - podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
   variables:
     SLURM_CONSTRAINT: mc
     SLURM_CPUS_PER_TASK: 4
diff --git a/ci/cscs_eiger_spack_ssmp.yaml b/ci/cscs_eiger_spack_ssmp.yaml
index d19dc87277..5d91f6ac78 100644
--- a/ci/cscs_eiger_spack_ssmp.yaml
+++ b/ci/cscs_eiger_spack_ssmp.yaml
@@ -60,13 +60,12 @@ build cp2k eiger:
     PERSIST_IMAGE_NAME: ${CSCS_IMAGE_NAME}
 
 test cp2k eiger:
-  extends: .container-runner-eiger-zen2
+  extends: .baremetal-runner-eiger-zen2
   stage: test
   needs: ["build cp2k eiger"]
   timeout: 1h
-  image: ${CSCS_IMAGE_NAME}
   script:
-    - cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
+    - podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} -n ${SLURM_NTASKS} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
   variables:
     SLURM_CONSTRAINT: mc
     SLURM_CPUS_PER_TASK: 8
diff --git a/ci/cscs_eiger_toolchain_psmp.yaml b/ci/cscs_eiger_toolchain_psmp.yaml
index b854e6548f..911ca6457b 100644
--- a/ci/cscs_eiger_toolchain_psmp.yaml
+++ b/ci/cscs_eiger_toolchain_psmp.yaml
@@ -63,13 +63,12 @@ build cp2k eiger:
     PERSIST_IMAGE_NAME: ${CSCS_IMAGE_NAME}
 
 test cp2k eiger:
-  extends: .container-runner-eiger-zen2
+  extends: .baremetal-runner-eiger-zen2
   stage: test
   needs: ["build cp2k eiger"]
   timeout: 1h
-  image: ${CSCS_IMAGE_NAME}
   script:
-    - cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
+    - podman run --shm-size=1g -v ${PWD}:/mnt ${DOCKERHUB_IMAGE_NAME} mpiexec -n ${SLURM_NTASKS} -genv OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK} cp2k /opt/cp2k/benchmarks/CI/H2O-32_md.inp
   variables:
     SLURM_CONSTRAINT: mc
     SLURM_CPUS_PER_TASK: 4