Source: cp2k Version: 2025.2-3 Severity: serious Tags: ftbfs X-Debbugs-Cc: [email protected] User: [email protected] Usertags: s390x Control: block 1127345 by -1
https://buildd.debian.org/status/fetch.php?pkg=cp2k&arch=s390x&ver=2025.2-3&stamp=1772630099&raw=0 ... >>> /build/reproducible-path/cp2k-2025.2/TEST-2026-03-04_12-47-54/QS/regtest-wfn-restart H2O-wfn-restart-check.inp - RUNTIME FAIL ( 0.48 sec) <<< /build/reproducible-path/cp2k-2025.2/TEST-2026-03-04_12-47-54/QS/regtest-wfn-restart (348 of 350) done in 0.48 sec ... ------------------------------- Errors --------------------------------- xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx /build/reproducible-path/cp2k-2025.2/TEST-2026-03-04_12-47-54/QS/regtest-wfn-restart/H2O-wfn-restart-check.inp.out ******************************************************************************* ** ** ** ##### ## ## ** ** ## ## ## ## ## ** ** ## ## ## ###### ** ** ## ## ## ## ## ##### ## ## #### ## ##### ##### ** ** ## ## ## ## ## ## ## ## ## ## ## ## ## ## ** ** ## ## ## ## ## ## ## #### ### ## ###### ###### ** ** ## ### ## ## ## ## ## ## ## ## ## ## ** ** ####### ##### ## ##### ## ## #### ## ##### ## ** ** ## ## ** ** ** ** ... make the atoms dance ** ** ** ** Copyright (C) by CP2K developers group (2000-2025) ** ** J. Chem. Phys. 152, 194103 (2020) ** ** ** ******************************************************************************* TOTAL NUMBERS AND MAXIMUM NUMBERS Total number of - Atomic kinds: 2 - Atoms: 3 - Shell sets: 4 - Shells: 9 - Primitive Cartesian functions: 13 - Cartesian basis functions: 18 - Spherical basis functions: 17 Maximum angular momentum of- Orbital basis functions: 2 - Local part of the GTH pseudopotential: 2 - Non-local part of the GTH pseudopotential: 0 SCF PARAMETERS Density guess: RESTART -------------------------------------------------------- max_scf: 50 max_scf_history: 0 max_diis: 4 -------------------------------------------------------- eps_scf: 1.00E-06 eps_scf_history: 0.00E+00 eps_diis: 1.00E-01 eps_eigval: 1.00E-05 -------------------------------------------------------- level_shift [a.u.]: 0.000000 -------------------------------------------------------- Mixing method: DIRECT_P_MIXING -------------------------------------------------------- No outer SCF Number of electrons: 8 Number of occupied orbitals: 4 Number of molecular orbitals: 4 Number of orbital functions: 17 Number of independent orbital functions: 17 Extrapolation method: initial_guess READ RESTART : WARNING : nspin is not equal ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ Reducing nspin is not possible. * * | * * O/| * * /| | * * / \ qs_mo_io.F:715 * ******************************************************************************* ===== Routine Calling Stack ===== 6 read_mo_set_from_restart 5 calculate_first_density_matrix 4 scf_env_initial_rho_setup 3 init_scf_run 2 qs_energies 1 CP2K -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD Proc: [[44225,1],0] Errorcode: 1 NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. -------------------------------------------------------------------------- -------------------------------------------------------------------------- Sorry! You were supposed to get help about: prun:proc-ordered-abort But I couldn't open the help file: /usr/lib/s390x-linux-gnu/pmix2/share/pmix/help-prun.txt: No such file or directory /usr/lib/s390x-linux-gnu/prrte3/share/prte/help-prun.txt: No such file or directory. Sorry! -------------------------------------------------------------------------- Runtime failure with code 1. ------------------------------- Timings -------------------------------- Plot: name="timings", title="Timing Distribution", ylabel="time [s]" PlotPoint: name="100th_percentile", plot="timings", label="100th %ile", y=81.69, yerr=0.0 PlotPoint: name="99th_percentile", plot="timings", label="99th %ile", y=28.82, yerr=0.0 PlotPoint: name="98th_percentile", plot="timings", label="98th %ile", y=25.00, yerr=0.0 PlotPoint: name="95th_percentile", plot="timings", label="95th %ile", y=14.64, yerr=0.0 PlotPoint: name="90th_percentile", plot="timings", label="90th %ile", y=10.69, yerr=0.0 PlotPoint: name="80th_percentile", plot="timings", label="80th %ile", y=6.76, yerr=0.0 ------------------------------- Summary -------------------------------- Number of FAILED tests 1 Number of WRONG tests 0 Number of CORRECT tests 349 Total number of tests 350 Summary: correct: 349 / 350; failed: 1; 27min Status: FAILED *************************** Testing ended ****************************** make[1]: *** [debian/rules:81: override_dh_auto_test] Error 1
