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: ----------------------- Parameter names:['a', 'c/a', 'z1', 'x2', 'x3', 'x4', 'z4', 'x5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['10.2149', '1.0165836', '0.61228571', '0.75779551', '0.86747065', '0.38051764', '0.81323099', '0.79060657', '0.68780964']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']representative atom coordinates = [[0.33333333 0.66666667 0.61228571] [0.75779551 0. 0. ] [0.86747065 0.7349413 0.5 ] [0.38051764 0. 0.81323099] [0.79060657 0.58121314 0.68780964]]spacegroup = 191cell = [[10.2149, 0, 0], [-5.10745, 8.8463628971177, 0], [0, 0, 10.3843]]========================================= 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":6.58,"usertime":6.76,"systime":13.15,"memmax":210884,"memavg":0} output/kim.log: --------------- 2023-09-26:15:16:29MDT * 0 * information * 0x30feca0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:16:29MDT * 1 * information * 0x30feca0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:15:16:29MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x30feca0'.2023-09-26:15:16:29MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:16:29MDT * 0 * information * 0x30feca0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:16:29MDT * 0 * information * 0x30ff130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:16:29MDT * 1 * information * 0x30ff130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x30feca0_Collections'.2023-09-26:15:16:29MDT * 2 * information * 0x30feca0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x30ff130'.2023-09-26:15:16:29MDT * 3 * information * 0x30feca0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:16:29MDT * 1 * information * 0x30feca0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:16:29MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x30feca0'.2023-09-26:15:16:29MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:16:29MDT * 0 * information * 0x30feca0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:16:29MDT * 0 * information * 0x31001b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:16:29MDT * 1 * information * 0x31001b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x30feca0_Collections'.2023-09-26:15:16:29MDT * 2 * information * 0x30feca0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31001b0'.2023-09-26:15:16:29MDT * 3 * information * 0x30feca0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:16:29MDT * 1 * information * 0x30feca0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:16:29MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x30feca0'.2023-09-26:15:16:30MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.