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: ----------------------- AB_mC32_15_2f_2fParameter names:['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.085', '0.54047993', '0.97765825', '124.967', '0.25815826', '0.91157956', '0.35874177', '0.92799192', '0.15564958', '0.046848608', '0.87578096', '0.45613165', '0.18726658', '0.0091736831', '0.71245896', '0.35751028']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Na', 'Na', 'Si', 'Si']representative atom coordinates = [[0.25815826 0.91157956 0.35874177] [0.42799192 0.65564958 0.04684861] [0.37578096 0.95613165 0.18726658] [0.50917368 0.21245896 0.35751028]]spacegroup = 15cell = [[12.085, 0, 0], [0, 6.5317, 0], [-6.7712301818446, 0, 9.6821829576019]]========================================= 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":4.76,"usertime":4.23,"systime":9.87,"memmax":184308,"memavg":0} output/kim.log: --------------- 2023-11-27:11:29:56MST * 0 * information * 0x278cb10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:29:56MST * 1 * information * 0x278cb10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-27:11:29:56MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x278cb10'.2023-11-27:11:29:56MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:29:56MST * 0 * information * 0x278cb10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:29:56MST * 0 * information * 0x278cfd0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:29:56MST * 1 * information * 0x278cfd0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x278cb10_Collections'.2023-11-27:11:29:56MST * 2 * information * 0x278cb10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x278cfd0'.2023-11-27:11:29:56MST * 3 * information * 0x278cb10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:29:56MST * 1 * information * 0x278cb10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:29:56MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x278cb10'.2023-11-27:11:29:56MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:29:56MST * 0 * information * 0x278cb10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:29:56MST * 0 * information * 0x278dfb0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:29:56MST * 1 * information * 0x278dfb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x278cb10_Collections'.2023-11-27:11:29:56MST * 2 * information * 0x278cb10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x278dfb0'.2023-11-27:11:29:56MST * 3 * information * 0x278cb10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:29:56MST * 1 * information * 0x278cb10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:29:56MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x278cb10'.2023-11-27:11:29:56MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.