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: ----------------------- representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.0000000e+00 0.0000000e+00 9.6872441e-01] [0.0000000e+00 0.0000000e+00 8.4370239e-01] [0.0000000e+00 0.0000000e+00 7.1888931e-01] [0.0000000e+00 0.0000000e+00 5.5210798e-01] [0.0000000e+00 0.0000000e+00 4.6882949e-01] [0.0000000e+00 0.0000000e+00 3.4389457e-01] [0.0000000e+00 0.0000000e+00 2.6040292e-01] [0.0000000e+00 0.0000000e+00 9.3870175e-02] [0.0000000e+00 0.0000000e+00 9.3737699e-05] [0.0000000e+00 0.0000000e+00 8.7501304e-01] [0.0000000e+00 0.0000000e+00 7.5013702e-01] [0.0000000e+00 0.0000000e+00 5.8335042e-01] [0.0000000e+00 0.0000000e+00 5.0003876e-01] [0.0000000e+00 0.0000000e+00 3.7516302e-01] [0.0000000e+00 0.0000000e+00 2.9167551e-01] [0.0000000e+00 0.0000000e+00 1.2510724e-01]]spacegroup = 160cell = [[3.0955, 0, 0], [-1.54775, 2.6807816374147, 0], [0, 0, 60.7298]]========================================= 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":3.76,"usertime":4.88,"systime":11.76,"memmax":132268,"memavg":0} output/kim.log: --------------- 2023-04-21:10:40:43MDT * 0 * information * 0x2041ac0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:43MDT * 1 * information * 0x2041ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-21:10:40:43MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2041ac0'.2023-04-21:10:40:43MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:43MDT * 0 * information * 0x2041ac0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:43MDT * 0 * information * 0x2041f50 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:43MDT * 1 * information * 0x2041f50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2041ac0_Collections'.2023-04-21:10:40:43MDT * 2 * information * 0x2041ac0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2041f50'.2023-04-21:10:40:43MDT * 3 * information * 0x2041ac0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:43MDT * 1 * information * 0x2041ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:10:40:43MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2041ac0'.2023-04-21:10:40:43MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:43MDT * 0 * information * 0x2041ac0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:43MDT * 0 * information * 0x20431a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:43MDT * 1 * information * 0x20431a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2041ac0_Collections'.2023-04-21:10:40:43MDT * 2 * information * 0x2041ac0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20431a0'.2023-04-21:10:40:43MDT * 3 * information * 0x2041ac0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:43MDT * 1 * information * 0x2041ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:10:40:43MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2041ac0'.2023-04-21:10:40:43MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.