Matplotlib created a temporary config/cache directory at /tmp/matplotlib-kx0qa3kk because the default path (/var/www/.config/matplotlib) is not a writable directory; 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/utils/__init__.py:62: FutureWarning: Please use atoms.cell.reciprocal() warnings.warn(warning) INFO: Creating lattice/cell object from /var/www/html/data/material_modeling/LK99-Pb9P6CuO25_Cu_on_Pb1.cif-QuantumEspresso-farhie-20230904-215611/LK99-Pb9P6CuO25_Cu_on_Pb1.cif INFO: supercell = [1 1 1] INFO: kpoints = [3 3 3] INFO: kpts_density= 1107 INFO: directory = /var/www/html/data/material_modeling/LK99-Pb9P6CuO25_Cu_on_Pb1.cif-QuantumEspresso-farhie-20230904-215611/ INFO: CuO25P6Pb9 Bravais lattive: HEX(a=9.62586, c=7.21588); Spacegroup: P 1 (1) INFO: Creating calculator QUANTUMESPRESSO Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Starting computations in file:///var/www/html/data/material_modeling/LK99-Pb9P6CuO25_Cu_on_Pb1.cif-QuantumEspresso-farhie-20230904-215611/ [Mon Sep 4 21:56:14 2023] INFO: Computing ground state. INFO: Computing electronic density of states. Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL INFO: Computing electronic band structure along BZ path. -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- -------------------------------------------------------------------------- mpirun noticed that process rank 1 with PID 0 on node re-grades-02 exited on signal 15 (Terminated). --------------------------------------------------------------------------