[acn159:4192919] [[62793,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file util/show_help.c at line 513 [acn159:4192919] [[62793,0],0] ORTE_ERROR_LOG: Out of resource in file util/show_help.c at line 501 Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner", line 142, in forces = atoms.get_forces() File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 502, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 357, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 463, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 618, in command self.lib.lammps_command(self.lmp,cmd) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__ raise self.lmp._lammps_exception Exception: ERROR: Too many ghost atoms (src/REAXFF/pair_reaxff.cpp:541) Command exited with non-zero status 1 {"realtime":8.01,"usertime":3.87,"systime":3.48,"memmax":181724,"memavg":0}