RuntimeError: Job process returned error code 1 Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 546, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place raise RuntimeError(f"Job process returned error code {retcode}") RuntimeError: Job process returned error code 1 output/pipeline.stdout: ----------------------- AFLOW prototype label:A2B_hP18_179_ab_bParameter names:['a', 'c/a', 'x1', 'x2', 'x3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.3595', '0.95899178', '0.31606908', '0.61199005', '0.23298748']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'Si']representative atom coordinates = [[0.31606908 0. 0. ] [0.61199005 0.2239801 0.75 ] [0.23298748 0.46597496 0.75 ]]spacegroup = 179cell = [[7.3595, 0, 0], [-3.67975, 6.3735139591516, 0], [0, 0, 7.0577]]========================================= output/pipeline.stderr: ----------------------- 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 500, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 356, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 379, in propagate self.initialise_lammps(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps self.lmp.command('boundary ' + self.lammpsbc(atoms)) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, 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_exceptionException: ERROR: Boundary command after simulation box is defined (src/input.cpp:1366)Command exited with non-zero status 1{"realtime":17.24,"usertime":26.57,"systime":32.80,"memmax":180956,"memavg":0} output/kim.log: --------------- 2023-04-03:17:11:23CDT * 0 * information * 0x34283f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:17:11:23CDT * 1 * information * 0x34283f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-03:17:11:23CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34283f0'.2023-04-03:17:11:23CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:17:11:23CDT * 0 * information * 0x34283f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:17:11:23CDT * 0 * information * 0x3428af0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:17:11:23CDT * 1 * information * 0x3428af0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34283f0_Collections'.2023-04-03:17:11:23CDT * 2 * information * 0x34283f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3428af0'.2023-04-03:17:11:23CDT * 3 * information * 0x34283f0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:17:11:23CDT * 1 * information * 0x34283f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:17:11:23CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34283f0'.2023-04-03:17:11:23CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:17:11:23CDT * 0 * information * 0x34283f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:17:11:23CDT * 0 * information * 0x342a1e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:17:11:23CDT * 1 * information * 0x342a1e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34283f0_Collections'.2023-04-03:17:11:23CDT * 2 * information * 0x34283f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x342a1e0'.2023-04-03:17:11:23CDT * 3 * information * 0x34283f0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:17:11:23CDT * 1 * information * 0x34283f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:17:11:23CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34283f0'.2023-04-03:17:11:23CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.