Matplotlib created a temporary config/cache directory at /tmp/matplotlib-r0ekebvs 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/io/cif.py:401: UserWarning: crystal system 'trigonal' is not interpreted for space group Spacegroup(147, setting=1). This may result in wrong setting! warnings.warn( /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.cif-QuantumEspresso-farhie-20230905-081322/LK99.cif INFO: supercell = [1 1 1] INFO: kpoints = [3 3 3] INFO: kpts_density= 2268 INFO: directory = /var/www/html/data/material_modeling/LK99.cif-QuantumEspresso-farhie-20230905-081322/ INFO: O52P12Pb20 Bravais lattive: HEX(a=9.8109, c=14.8403); Spacegroup: P -1 (2) 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_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.cif-QuantumEspresso-farhie-20230905-081322/ [Tue Sep 5 08:13:25 2023] INFO: Computing ground state. INFO: Computing electronic density of states. WARNING: ERROR Computing the eDOS. Ignoring. name 'ef' is not defined -------------------------------------------------------------------------- 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 2 with PID 0 on node re-grades-02 exited on signal 15 (Terminated). --------------------------------------------------------------------------