/var/lib/material-modelling/.config/matplotlib is not a writable directory
Matplotlib created a temporary cache directory at /tmp/matplotlib-3_ijqi1v because there was an issue with the default path (/var/lib/material-modelling/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
/usr/lib/python3/dist-packages/ase/io/cif.py:408: UserWarning: crystal system 'cubic' is not interpreted for space group Spacegroup(221, setting=1). This may result in wrong setting!
  warnings.warn(
INFO: Reading configuration file /var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261030-163030/config.toml.
INFO: Using material-modelling 26.10.30
INFO: Creating lattice/cell object from /var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261030-163030/LaB6.cif [Fri Oct 30 16:30:34 2026]
INFO: supercell   = [2 2 2]
INFO: kpoints     = [3 3 3]
INFO: kpts_density= 1512
INFO: directory   = /var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261030-163030
INFO: B6La Bravais lattice: CUB(a=4.157); Spacegroup: P m -3 m (221)
INFO: Estimated ~1345 G-vectors at ecut=408.2 eV (V=484.8 bohr^3). Max 13 MPI procs for >= 100 G-vectors/proc.
INFO: Limiting MPI from 128 to 13 processes (>=100 G-vectors/proc)
INFO: ecut        = 30.0 Ry (408.2 eV)
INFO: Using 12 MPI ranks (3 pools of 4) instead of 13.
INFO: Starting computations in file:///var/lib/material-modelling/data/LaB6.cif-QuantumEspresso-farhi-20261030-163030 [Fri Oct 30 16:30:34 2026]
INFO: Using calculator ESPRESSO.
INFO: Using kpoint [11 11 11]
INFO: Using kpoint [21 21 21]
INFO: Computing ground state [Fri Oct 30 16:30:35 2026]
INFO: Using 12 MPI ranks (3 pools of 4) instead of 13.
INFO: Computing electronic density of states [Fri Oct 30 16:30:53 2026]
INFO: Computing electronic band structure 1d [Fri Oct 30 16:30:53 2026]
INFO: Using 12 MPI ranks (3 pools of 4) instead of 13.
INFO: B6La: Ef=12.3262 eV. Gap=5.10 meV.
INFO: Computing electronic band structure 3d [Fri Oct 30 16:31:49 2026]
INFO: B6La: Ef=12.1625 eV. Gap=52.60 meV.
Traceback (most recent call last):
  File "/usr/bin/material-modelling", line 4560, in run_workflow
    properties['phonons_dos'],generated = compute_phonons_phonopy_dos(atoms, settings)
                                          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^
  File "/usr/bin/material-modelling", line 2900, in compute_phonons_phonopy_dos
    phonopy_get_force_constants(settings['directory'], atoms.calc, phonon, sum_rule=True, settings=settings)
    ~~~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/bin/material-modelling", line 3881, in phonopy_get_force_constants
    set_of_forces = phonopy_compute_force_sets(path, calc, supercells, settings)
  File "/usr/bin/material-modelling", line 3995, in phonopy_compute_force_sets
    set_of_forces = [fut.result() for fut in futures]
                     ~~~~~~~~~~^^
  File "/usr/lib/python3.13/concurrent/futures/_base.py", line 456, in result
    return self.__get_result()
           ~~~~~~~~~~~~~~~~~^^
  File "/usr/lib/python3.13/concurrent/futures/_base.py", line 401, in __get_result
    raise self._exception
  File "/usr/lib/python3.13/concurrent/futures/thread.py", line 59, in run
    result = self.fn(*self.args, **self.kwargs)
  File "/usr/bin/material-modelling", line 3986, in worker
    force_set = phonopy_get_forces(calc2, atoms2)
  File "/usr/bin/material-modelling", line 3863, in phonopy_get_forces
    forces = cell.get_forces()
  File "/usr/lib/python3/dist-packages/ase/atoms.py", line 827, in get_forces
    forces = self._calc.get_forces(self)
  File "/usr/lib/python3/dist-packages/ase/calculators/abc.py", line 30, in get_forces
    return self.get_property('forces', atoms)
           ~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^
  File "/usr/lib/python3/dist-packages/ase/calculators/calculator.py", line 538, in get_property
    self.calculate(atoms, [name], system_changes)
    ~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/lib/python3/dist-packages/ase/calculators/genericfileio.py", line 333, in calculate
    self.template.execute(self.directory, self.profile)
    ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/lib/python3/dist-packages/ase/calculators/espresso.py", line 87, in execute
    profile.run(directory, self.inputname, self.outputname,
    ~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                errorfile=self.errorname)
                ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/lib/python3/dist-packages/ase/calculators/genericfileio.py", line 101, in run
    check_call(
    ~~~~~~~~~~^
        argv_command,
        ^^^^^^^^^^^^^
    ...<3 lines>...
        env=os.environ,
        ^^^^^^^^^^^^^^^
    )
    ^
  File "/usr/lib/python3.13/subprocess.py", line 419, in check_call
    raise CalledProcessError(retcode, cmd)
subprocess.CalledProcessError: Command '['/usr/bin/mpirun', '-np', '4', '/usr/bin/pw.x', '-in', 'espresso.pwi']' returned non-zero exit status 143.