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: ----------------------- standardnumber of parameter sets:1Parameter values for parameter set 0:['10.017', '1.6093441', '0.42717347', '0.57149774', '0.13353688', '0.49951896', '0.20865981', '0.62176631', '0.20852652', '0.37695719', '0.38057577', '0.3795477', '0.29513767', '0.00061200299', '0.24460663', '0.17356382', '0.33353138', '0.4211924', '0.058121322']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.33333333 0.66666667 0.42717347] [0.33333333 0.66666667 0.57149774] [0.13353688 0.86646312 0.49951896] [0.20865981 0.79134019 0.62176631] [0.20852652 0.79147348 0.37695719] [0.6204523 0.00102807 0.29513767] [0.75539337 0.75600537 0.17356382] [0.5788076 0.91233898 0.05812132]]spacegroup = 164cell = [[10.017, 0, 0], [-5.0085, 8.6749764697087, 0], [0, 0, 16.1208]]========================================= 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":36.60,"usertime":44.46,"systime":50.61,"memmax":115340,"memavg":0} output/kim.log: --------------- 2023-06-20:15:15:32CDT * 0 * information * 0x2c443d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-06-20:15:15:32CDT * 1 * information * 0x2c443d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-06-20:15:15:32CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c443d0'.2023-06-20:15:15:32CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-06-20:15:15:32CDT * 0 * information * 0x2c443d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-06-20:15:15:32CDT * 0 * information * 0x2c44ad0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-06-20:15:15:32CDT * 1 * information * 0x2c44ad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2c443d0_Collections'.2023-06-20:15:15:32CDT * 2 * information * 0x2c443d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c44ad0'.2023-06-20:15:15:32CDT * 3 * information * 0x2c443d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-06-20:15:15:32CDT * 1 * information * 0x2c443d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-06-20:15:15:32CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c443d0'.2023-06-20:15:15:32CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-06-20:15:15:32CDT * 0 * information * 0x2c443d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-06-20:15:15:32CDT * 0 * information * 0x2c462f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-06-20:15:15:32CDT * 1 * information * 0x2c462f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2c443d0_Collections'.2023-06-20:15:15:32CDT * 2 * information * 0x2c443d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c462f0'.2023-06-20:15:15:32CDT * 3 * information * 0x2c443d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-06-20:15:15:32CDT * 1 * information * 0x2c443d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-06-20:15:15:32CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c443d0'.2023-06-20:15:15:32CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.