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: ----------------------- AB3_tP16_127_f_eghParameter names:['a', 'c/a', 'z1', 'z2', 'x3', 'x4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.4728', '1.4433928', '0.25312095', '0.23998573', '0.22569591', '0.30865809']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Pt', 'Pt', 'Pt']representative atom coordinates = [[0. 0.5 0.23998573] [0. 0. 0.25312095] [0.22569591 0.72569591 0. ] [0.30865809 0.80865809 0.5 ]]spacegroup = 127cell = [[5.4728, 0, 0], [0, 5.4728, 0], [0, 0, 7.8994]]========================================= 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":3.35,"usertime":5.73,"systime":18.92,"memmax":162036,"memavg":0} output/kim.log: --------------- 2023-04-10:11:45:09MDT * 0 * information * 0x334e120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:45:09MDT * 1 * information * 0x334e120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-10:11:45:09MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x334e120'.2023-04-10:11:45:09MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:45:09MDT * 0 * information * 0x334e120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:45:09MDT * 0 * information * 0x334e5b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:45:09MDT * 1 * information * 0x334e5b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x334e120_Collections'.2023-04-10:11:45:09MDT * 2 * information * 0x334e120_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x334e5b0'.2023-04-10:11:45:09MDT * 3 * information * 0x334e120_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:45:09MDT * 1 * information * 0x334e120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:11:45:09MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x334e120'.2023-04-10:11:45:09MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:45:09MDT * 0 * information * 0x334e120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:45:09MDT * 0 * information * 0x334f8d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:45:09MDT * 1 * information * 0x334f8d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x334e120_Collections'.2023-04-10:11:45:09MDT * 2 * information * 0x334e120_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x334f8d0'.2023-04-10:11:45:09MDT * 3 * information * 0x334e120_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:45:09MDT * 1 * information * 0x334e120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:11:45:09MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x334e120'.2023-04-10:11:45:09MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.