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: ----------------------- 1Parameter values for parameter set 0:['3.0942', '4.090201', '0.15006489', '0.75008767', '0.00011035469', '0.59980949', '0.54971634', '0.9503951', '0.39975113', '0.80010106', '0.34996937', '0.19994208']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[3.3333333e-01 6.6666667e-01 1.5006489e-01] [3.3333333e-01 6.6666667e-01 7.5008767e-01] [0.0000000e+00 0.0000000e+00 5.4971634e-01] [0.0000000e+00 0.0000000e+00 9.5039510e-01] [6.6666667e-01 3.3333333e-01 3.4996937e-01] [3.3333333e-01 6.6666667e-01 1.1035469e-04] [3.3333333e-01 6.6666667e-01 5.9980949e-01] [0.0000000e+00 0.0000000e+00 3.9975113e-01] [0.0000000e+00 0.0000000e+00 8.0010106e-01] [6.6666667e-01 3.3333333e-01 1.9994208e-01]]spacegroup = 156cell = [[3.0942, 0, 0], [-1.5471, 2.6796558043898, 0], [0, 0, 12.6559]]========================================= 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":17.60,"usertime":27.28,"systime":31.45,"memmax":126884,"memavg":0} output/kim.log: --------------- 2023-04-17:12:34:04CDT * 0 * information * 0x2b5dfe0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:34:04CDT * 1 * information * 0x2b5dfe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-17:12:34:04CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b5dfe0'.2023-04-17:12:34:04CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:34:04CDT * 0 * information * 0x2b5dfe0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:34:04CDT * 0 * information * 0x2b5e6e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:34:04CDT * 1 * information * 0x2b5e6e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b5dfe0_Collections'.2023-04-17:12:34:04CDT * 2 * information * 0x2b5dfe0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b5e6e0'.2023-04-17:12:34:04CDT * 3 * information * 0x2b5dfe0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:34:04CDT * 1 * information * 0x2b5dfe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:12:34:04CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b5dfe0'.2023-04-17:12:34:04CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:34:04CDT * 0 * information * 0x2b5dfe0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:34:04CDT * 0 * information * 0x2b5ff00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:34:04CDT * 1 * information * 0x2b5ff00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b5dfe0_Collections'.2023-04-17:12:34:04CDT * 2 * information * 0x2b5dfe0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b5ff00'.2023-04-17:12:34:04CDT * 3 * information * 0x2b5dfe0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:34:04CDT * 1 * information * 0x2b5dfe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:12:34:04CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b5dfe0'.2023-04-17:12:34:04CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.