diff --git a/ci/cscs_daint_spack_psmp.yaml b/ci/cscs_daint_spack_psmp.yaml
index c97659513e..1d0b6ea00e 100644
--- a/ci/cscs_daint_spack_psmp.yaml
+++ b/ci/cscs_daint_spack_psmp.yaml
@@ -100,6 +100,29 @@ benchmark cp2k 1 daint node:
   needs: ["build cp2k daint","test cp2k daint"]
   timeout: 1h
   image: ${CSCS_IMAGE_NAME}
+  before_script:
+    - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
+    - export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
+  script:
+    - cp2k /opt/cp2k/benchmarks/CI/H2O-512_md.inp
+  variables:
+    SLURM_CPU_BIND: cores
+    SLURM_CPUS_PER_TASK: 3
+    SLURM_DEBUG: 1
+    SLURM_HINT: nomultithread
+    SLURM_JOB_NUM_NODES: 1
+    SLURM_MPI_TYPE: pmi2
+    SLURM_NTASKS: 72
+    SLURM_NTASKS_PER_NODE: 72
+    SLURM_TIMELIMIT: 30
+    USE_MPI: YES
+
+benchmark cp2k 1 daint node:
+  extends: .container-runner-daint-gh200
+  stage: benchmark
+  needs: ["build cp2k daint","test cp2k daint","benchmark cp2k 1 daint node"]
+  timeout: 1h
+  image: ${CSCS_IMAGE_NAME}
   before_script:
     - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
     - export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
diff --git a/ci/cscs_daint_spack_psmp_h100.yaml b/ci/cscs_daint_spack_psmp_h100.yaml
index 852e9b4510..be76c13b8c 100644
--- a/ci/cscs_daint_spack_psmp_h100.yaml
+++ b/ci/cscs_daint_spack_psmp_h100.yaml
@@ -100,6 +100,29 @@ benchmark cp2k 1 daint node:
   needs: ["build cp2k daint","test cp2k daint"]
   timeout: 1h
   image: ${CSCS_IMAGE_NAME}
+  before_script:
+    - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
+    - export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
+  script:
+    - cp2k /opt/cp2k/benchmarks/CI/H2O-512_md.inp
+  variables:
+    SLURM_CPU_BIND: cores
+    SLURM_CPUS_PER_TASK: 3
+    SLURM_DEBUG: 1
+    SLURM_HINT: nomultithread
+    SLURM_JOB_NUM_NODES: 1
+    SLURM_MPI_TYPE: pmi2
+    SLURM_NTASKS: 72
+    SLURM_NTASKS_PER_NODE: 72
+    SLURM_TIMELIMIT: 30
+    USE_MPI: YES
+
+benchmark cp2k 1 daint node elpa:
+  extends: .container-runner-daint-gh200
+  stage: benchmark
+  needs: ["build cp2k daint","test cp2k daint","benchmark cp2k 1 daint node"]
+  timeout: 1h
+  image: ${CSCS_IMAGE_NAME}
   before_script:
     - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
     - export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
diff --git a/ci/cscs_eiger_spack_psmp.yaml b/ci/cscs_eiger_spack_psmp.yaml
index cd1c9aa57c..bfa8366eff 100644
--- a/ci/cscs_eiger_spack_psmp.yaml
+++ b/ci/cscs_eiger_spack_psmp.yaml
@@ -102,6 +102,28 @@ benchmark cp2k 1 eiger node:
   needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger"]
   timeout: 1h
   image: ${CSCS_IMAGE_NAME}
+  before_script:
+    - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
+  script:
+    - cp2k.popt /opt/cp2k/benchmarks/CI/H2O-128_md.inp
+  variables:
+    SLURM_CONSTRAINT: mc
+    SLURM_CPUS_PER_TASK: 1
+    SLURM_DEBUG: 1
+    SLURM_HINT: nomultithread
+    SLURM_JOB_NUM_NODES: 1
+    SLURM_MPI_TYPE: pmi2
+    SLURM_NTASKS: 128
+    SLURM_NTASKS_PER_NODE: 128
+    SLURM_TIMELIMIT: 30
+    USE_MPI: YES
+
+benchmark cp2k 1 eiger node elpa:
+  extends: .container-runner-eiger-zen2
+  stage: benchmark
+  needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger","benchmark cp2k 1 eiger node"]
+  timeout: 1h
+  image: ${CSCS_IMAGE_NAME}
   before_script:
     - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
   script:
@@ -124,6 +146,29 @@ benchmark cp2k 2 eiger nodes:
   needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger"]
   timeout: 1h
   image: ${CSCS_IMAGE_NAME}
+  before_script:
+    - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
+    - export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
+  script:
+    - cp2k /opt/cp2k/benchmarks/CI/H2O-512_md.inp
+  variables:
+    SLURM_CONSTRAINT: mc
+    SLURM_CPUS_PER_TASK: 1
+    SLURM_DEBUG: 1
+    SLURM_HINT: nomultithread
+    SLURM_JOB_NUM_NODES: 2
+    SLURM_MPI_TYPE: pmi2
+    SLURM_NTASKS: 256
+    SLURM_NTASKS_PER_NODE: 128
+    SLURM_TIMELIMIT: 30
+    USE_MPI: YES
+
+benchmark cp2k 2 eiger nodes elpa:
+  extends: .container-runner-eiger-zen2
+  stage: benchmark
+  needs: ["build cp2k eiger","test cp2k eiger","regression test cp2k eiger","benchmark cp2k 2 eiger nodes"]
+  timeout: 1h
+  image: ${CSCS_IMAGE_NAME}
   before_script:
     - export CP2K_DATA_DIR=/opt/cp2k/install/share/cp2k/data
     - export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}