[Debichem-devel] Bug#1130069: cp2k FTBFS on s390x
Adrian Bunk
bunk at debian.org
Sun Mar 8 08:43:00 GMT 2026
Source: cp2k
Version: 2025.2-3
Severity: serious
Tags: ftbfs
X-Debbugs-Cc: debian-s390 at lists.debian.org
User: debian-s390 at lists.debian.org
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
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** ## ## ## ## ## ## ## #### ### ## ###### ###### **
** ## ### ## ## ## ## ## ## ## ## ## ## **
** ####### ##### ## ##### ## ## #### ## ##### ## **
** ## ## **
** **
** ... 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
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