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: ----------------------- ['3.7314', '6.8844134', '0.85695693', '0.57171212', '0.71465878', '0.5714093', '0.71434546', '0.8568193', '0.3568921', '0.21430825', '0.071594782']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Pd', 'Pd', 'Pd', 'Pd']representative atom coordinates = [[0. 0. 0. ] [0. 0.5 0.5 ] [0. 0. 0.85695693] [0.5 0.5 0.5714093 ] [0.5 0.5 0.71434546] [0. 0.5 0.3568921 ] [0. 0.5 0.21430825] [0. 0.5 0.07159478] [0.5 0.5 0. ] [0. 0. 0.57171212] [0. 0. 0.71465878] [0.5 0.5 0.8568193 ]]spacegroup = 123cell = [[3.7314, 0, 0], [0, 3.7314, 0], [0, 0, 25.6885]]========================================= 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":3.97,"usertime":6.62,"systime":20.73,"memmax":131800,"memavg":0} output/kim.log: --------------- 2023-04-06:15:29:03MDT * 0 * information * 0x3708d90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:29:03MDT * 1 * information * 0x3708d90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-06:15:29:03MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3708d90'.2023-04-06:15:29:03MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:29:03MDT * 0 * information * 0x3708d90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:29:03MDT * 0 * information * 0x37091c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:29:03MDT * 1 * information * 0x37091c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3708d90_Collections'.2023-04-06:15:29:03MDT * 2 * information * 0x3708d90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x37091c0'.2023-04-06:15:29:03MDT * 3 * information * 0x3708d90_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:29:03MDT * 1 * information * 0x3708d90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-06:15:29:03MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3708d90'.2023-04-06:15:29:03MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:29:03MDT * 0 * information * 0x3708d90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:29:03MDT * 0 * information * 0x370a340 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:29:03MDT * 1 * information * 0x370a340 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3708d90_Collections'.2023-04-06:15:29:03MDT * 2 * information * 0x3708d90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x370a340'.2023-04-06:15:29:03MDT * 3 * information * 0x3708d90_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:29:03MDT * 1 * information * 0x3708d90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-06:15:29:03MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3708d90'.2023-04-06:15:29:03MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.