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: ----------------------- ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.2487', '0.9996965', '1.0061804', '0.57779435', '0.67725861', '0.6125175', '0.18276746', '0.070077944', '0.63461906', '0.62549865', '0.1164156', '0.18068362', '0.10562964', '0.64068751', '0.076462409', '0.99307762', '0.48004391', '0.97044983', '0.22077858', '0.75218988', '0.23092196']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', 'Si']representative atom coordinates = [[0.57779435 0.67725861 0.6125175 ] [0.18276746 0.07007794 0.63461906] [0.62549865 0.1164156 0.18068362] [0.10562964 0.64068751 0.07646241] [0.99307762 0.48004391 0.97044983] [0.22077858 0.75218988 0.23092196]]spacegroup = 19cell = [[7.2487, 0, 0], [0, 7.2465, 0], [0, 0, 7.2935]]========================================= 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":4.72,"usertime":4.10,"systime":6.58,"memmax":209604,"memavg":0} output/kim.log: --------------- 2023-04-05:13:34:37MDT * 0 * information * 0x3c98cf0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:13:34:37MDT * 1 * information * 0x3c98cf0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-05:13:34:37MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3c98cf0'.2023-04-05:13:34:37MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:13:34:37MDT * 0 * information * 0x3c98cf0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:13:34:37MDT * 0 * information * 0x3c99120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:13:34:37MDT * 1 * information * 0x3c99120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3c98cf0_Collections'.2023-04-05:13:34:37MDT * 2 * information * 0x3c98cf0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3c99120'.2023-04-05:13:34:37MDT * 3 * information * 0x3c98cf0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:13:34:37MDT * 1 * information * 0x3c98cf0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:13:34:37MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3c98cf0'.2023-04-05:13:34:37MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:13:34:37MDT * 0 * information * 0x3c98cf0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:13:34:37MDT * 0 * information * 0x3c9a330 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:13:34:37MDT * 1 * information * 0x3c9a330 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3c98cf0_Collections'.2023-04-05:13:34:37MDT * 2 * information * 0x3c98cf0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3c9a330'.2023-04-05:13:34:37MDT * 3 * information * 0x3c98cf0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:13:34:37MDT * 1 * information * 0x3c98cf0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:13:34:37MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3c98cf0'.2023-04-05:13:34:37MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.