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:A2B3_oF40_43_b_abParameter names:['a', 'b/a', 'c/a', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.9784', '0.81956173', '0.30815817', '0.80751768', '0.54590386', '0.36631138', '0.49633412', '0.91790654', '0.26747974', '0.12845704']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Au', 'O', 'O']representative atom coordinates = [[0.38368862 0.79590386 0.99633412] [0. 0. 0.55751768] [0.48252026 0.16790654 0.62845704]]spacegroup = 43cell = [[10.6366, 0, 0], [0, 12.9784, 0], [0, 0, 3.9994]]========================================= 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":3.49,"usertime":6.50,"systime":21.39,"memmax":129848,"memavg":0} output/kim.log: --------------- 2023-04-03:14:54:44MDT * 0 * information * 0x20b2ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:54:44MDT * 1 * information * 0x20b2ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-03:14:54:44MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20b2ba0'.2023-04-03:14:54:44MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:54:44MDT * 0 * information * 0x20b2ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:54:44MDT * 0 * information * 0x20b3030 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:54:44MDT * 1 * information * 0x20b3030 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x20b2ba0_Collections'.2023-04-03:14:54:44MDT * 2 * information * 0x20b2ba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20b3030'.2023-04-03:14:54:44MDT * 3 * information * 0x20b2ba0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:54:44MDT * 1 * information * 0x20b2ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:54:44MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20b2ba0'.2023-04-03:14:54:44MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:54:44MDT * 0 * information * 0x20b2ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:54:44MDT * 0 * information * 0x20b43f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:54:44MDT * 1 * information * 0x20b43f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x20b2ba0_Collections'.2023-04-03:14:54:44MDT * 2 * information * 0x20b2ba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20b43f0'.2023-04-03:14:54:44MDT * 3 * information * 0x20b2ba0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:54:44MDT * 1 * information * 0x20b2ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:54:44MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20b2ba0'.2023-04-03:14:54:44MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.