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', 'y1', 'y2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.6402', '0.86679988', '0.83285201', '0.47160972', '0.26268769', '0.31553669', '0.90101136', '0.73573295', '0.095456763', '0.56078114']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.25 0.61679988 0.11679988] [0.25 0.58285201 0.91714799] [0.22160972 0.22160972 0.01268769] [0.06553669 0.06553669 0.65101136] [0.48573295 0.84545676 0.31078114]]spacegroup = 224cell = [[12.6402, 0, 0], [0, 12.6402, 0], [0, 0, 12.6402]]========================================= 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":63.21,"usertime":63.67,"systime":14.29,"memmax":285696,"memavg":0} output/kim.log: --------------- 2023-09-18:11:30:16MDT * 0 * information * 0x3b50220 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:30:16MDT * 1 * information * 0x3b50220 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:11:30:16MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b50220'.2023-09-18:11:30:16MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:30:16MDT * 0 * information * 0x3b50220 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:30:16MDT * 0 * information * 0x3b506b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:30:16MDT * 1 * information * 0x3b506b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b50220_Collections'.2023-09-18:11:30:16MDT * 2 * information * 0x3b50220_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b506b0'.2023-09-18:11:30:16MDT * 3 * information * 0x3b50220_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:30:16MDT * 1 * information * 0x3b50220 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:30:16MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b50220'.2023-09-18:11:30:16MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:30:16MDT * 0 * information * 0x3b50220 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:30:16MDT * 0 * information * 0x3b51810 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:30:16MDT * 1 * information * 0x3b51810 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b50220_Collections'.2023-09-18:11:30:16MDT * 2 * information * 0x3b50220_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b51810'.2023-09-18:11:30:16MDT * 3 * information * 0x3b50220_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:30:16MDT * 1 * information * 0x3b50220 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:30:16MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b50220'.2023-09-18:11:30:16MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.