Matplotlib created a temporary config/cache directory at /tmp/matplotlib-f6f5czau 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 'cubic' is not interpreted for space group Spacegroup(225, setting=1). This may result in wrong setting!
  warnings.warn(
INFO: Reading configuration file /var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250115-175446/config.toml.
INFO: Creating lattice/cell object from /var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250115-175446/Al.cif.
INFO: Primitive cell Al4 -> Al.
WARNING: XRayLib is unavailable. Install python3-xraylib. Using b=1 fm.
No module named 'xraylib'
INFO: supercell   = [3 3 3]
INFO: kpoints     = [4 4 4]
INFO: kpts_density= 1728
INFO: directory   = /var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250115-175446/
INFO: Al Bravais lattice: FCC(a=4.0339); Spacegroup: F m -3 m (225)
INFO: Creating calculator QUANTUMESPRESSO.
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 28 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:58610] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:58610] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 26 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:58724] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:58724] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 27 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:58834] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:58834] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Starting computations in file:///var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250115-175446/ [Wed Jan 15 17:54:49 2025]
INFO: Computing ground state.
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 27 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:58943] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:58943] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Computing electronic density of states.
WARNING: Failed computing the eDOS. Ignoring.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 27 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:59061] 7 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:59061] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Computing electronic band structure 1d.
WARNING: Failed computing the 1d electronic band structure along BZ path. Ignoring.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 31 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
INFO: Computing electronic band structure 3d.
WARNING: Failed computing the 3d electronic band structure along BZ path. Ignoring.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 26 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:59281] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:59281] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 27 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:59425] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:59425] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Computing phonon density of states (small displacement method, Phonopy).
WARNING: Failed computing phonons with Phonopy. Trying with ASE.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
WARNING: Failed computing the phonon density of states (ASE). Ignoring.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 27 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:59534] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:59534] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
WARNING: Failed computing the phonon dispersion 1d (ASE). Ignoring.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 26 in communicator MPI_COMM_WORLD
with 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.
--------------------------------------------------------------------------
[re-grades-02:59648] 8 more processes have sent help message help-mpi-api.txt / mpi-abort
[re-grades-02:59648] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
WARNING: Failed computing the phonon dispersion 3d (ASE). Ignoring.
Calculator "espresso" failed with command "/usr/bin/mpirun -np 32 /usr/bin/pw.x -in Al.pwi > Al.pwo" failed in /home/data/material_modeling/Al.cif-QuantumEspresso-farhie-20250115-175446 with error code 1
INFO: Saving results into file:///var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250115-175446/ [Wed Jan 15 17:55:24 2025]
INFO: Report available at file:///var/www/html/data/material-modeling/Al.cif-QuantumEspresso-farhie-20250115-175446//README.html