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: ----------------------- AB3C_oP20_62_c_cd_aParameter names:['a', 'b/a', 'c/a', 'x2', 'z2', 'x3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.1034', '1.4086883', '1.0036054', '0.49895846', '0.00095716699', '0.00014735025', '0.96273759', '0.25169156', '0.98083225', '0.75171527']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Ca', 'O', 'O', 'Si']representative atom coordinates = [[4.9895846e-01 2.5000000e-01 9.5716699e-04] [1.4735025e-04 2.5000000e-01 9.6273759e-01] [2.5169156e-01 9.8083225e-01 7.5171527e-01] [0.0000000e+00 0.0000000e+00 0.0000000e+00]]spacegroup = 62cell = [[5.1034, 0, 0], [0, 7.1891, 0], [0, 0, 5.1218]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, 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":3.96,"usertime":3.06,"systime":6.82,"memmax":167376,"memavg":0} output/kim.log: --------------- 2023-11-27:10:50:38MST * 0 * information * 0x41962e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:50:38MST * 1 * information * 0x41962e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-27:10:50:38MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x41962e0'.2023-11-27:10:50:38MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:50:38MST * 0 * information * 0x41962e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:50:38MST * 0 * information * 0x4196730 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:50:38MST * 1 * information * 0x4196730 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x41962e0_Collections'.2023-11-27:10:50:38MST * 2 * information * 0x41962e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4196730'.2023-11-27:10:50:38MST * 3 * information * 0x41962e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:50:38MST * 1 * information * 0x41962e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:10:50:38MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x41962e0'.2023-11-27:10:50:38MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:50:38MST * 0 * information * 0x41962e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:50:38MST * 0 * information * 0x4197850 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:50:38MST * 1 * information * 0x4197850 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x41962e0_Collections'.2023-11-27:10:50:38MST * 2 * information * 0x41962e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4197850'.2023-11-27:10:50:38MST * 3 * information * 0x41962e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:50:38MST * 1 * information * 0x41962e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:10:50:38MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x41962e0'.2023-11-27:10:50:38MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.