Fix application tests
Issue Description:
Several application tests are failing. Details:
-
CP2K: Failures are due to input file issues. -
NAMD: Need to fix CPU affinity for some CPU-based tests. -
GROMACS: Some tests use the gmx_mpi binary, but on certain versions, only the double-precision binary was compiled. As a result, the tests fail because the expected binary is not found.
FAILURE INFO for Gromacs_plumed_pocr %modules_infos=('adastra:cpu', 'GCC-CPU-3.1.0', 'gromacs/2023.3-cp2k-omp-plumed-mpi') (run: 1/1)
* Description: Gromacs application test
* System partition: adastra:cpu
* Environment: GCC-CPU-3.1.0
* Test file: /lus/home/BCINES/dci/jourdain/test/cines-reframe-tests/checks/apps/gromacs/reframe_gromacs_plumed_pocr.py
* Stage directory: /lus/home/BCINES/dci/jourdain/test/cines-reframe-tests/stage/adastra/cpu/GCC-CPU-3.1.0/Gromacs_plumed_pocr_a92d094d
* Node list: c1524
* Job type: batch job (id=4271795)
* Dependencies (conceptual): []
* Dependencies (actual): []
* Maintainers: []
* Failing phase: sanity
* Rerun with '-n /a92d094d -p GCC-CPU-3.1.0 --system adastra -r'
* Reason: sanity error: pattern 'Performance:' not found in 'rfm_job.err'
--- rfm_job.out (last 10 lines) ---
-----------------------------------------------------------
CINES Job Report:
-----------------
--- rfm_job.out ---
--- rfm_job.err (last 10 lines) ---
slurmstepd: error: execve(): gmx_mpi: No such file or directory
slurmstepd: error: execve(): gmx_mpi: No such file or directory
slurmstepd: error: execve(): gmx_mpi: No such file or directory
slurmstepd: error: execve(): gmx_mpi: No such file or directory
srun: error: c1524: tasks 0-47: Exited with exit code 2
Edited by jourdain