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:['13.103', '0.19170419', '0.335427', '89.3428', '0.99992306', '0.00078696576', '0.19996927', '0.57308228', '0.8657208', '0.61946441', '0.53158946', '0.50119416', '0.98074911', '0.6564571', '0.50589514', '0.15643052', '0.64689774', '0.55682484', '0.31235543', '0.60735972']model name:Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000==== Building ASE atoms object with: ====representative atom symbols = ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']representative atom coordinates = [[7.6940000e-05 0.0000000e+00 9.9921303e-01] [8.0003073e-01 0.0000000e+00 4.2691772e-01] [1.3427920e-01 0.0000000e+00 3.8053559e-01] [4.6841054e-01 0.0000000e+00 4.9880584e-01] [1.9250890e-02 0.0000000e+00 3.4354290e-01] [4.9410486e-01 0.0000000e+00 8.4356948e-01] [3.5310226e-01 0.0000000e+00 4.4317516e-01] [6.8764457e-01 0.0000000e+00 3.9264028e-01]]spacegroup = 8cell = [[13.103, 0, 0], [0, 2.5119, 0], [0.050412026974429, 0, 4.3948108761966]]========================================= 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":20.99,"usertime":2.63,"systime":3.33,"memmax":180644,"memavg":0} output/kim.log: --------------- 2023-04-24:11:29:45MDT * 0 * information * 0x32f2230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:29:45MDT * 1 * information * 0x32f2230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-24:11:29:45MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f2230'.2023-04-24:11:29:45MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:29:45MDT * 0 * information * 0x32f2230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:29:45MDT * 0 * information * 0x32f35f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:29:45MDT * 1 * information * 0x32f35f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x32f2230_Collections'.2023-04-24:11:29:45MDT * 2 * information * 0x32f2230_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f35f0'.2023-04-24:11:29:45MDT * 3 * information * 0x32f2230_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:29:45MDT * 1 * information * 0x32f2230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:11:29:45MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f2230'.2023-04-24:11:29:45MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:29:45MDT * 0 * information * 0x32f2230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:29:45MDT * 0 * information * 0x32f2700 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:29:45MDT * 1 * information * 0x32f2700 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x32f2230_Collections'.2023-04-24:11:29:45MDT * 2 * information * 0x32f2230_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f2700'.2023-04-24:11:29:45MDT * 3 * information * 0x32f2230_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:29:45MDT * 1 * information * 0x32f2230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:11:29:45MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f2230'.2023-04-24:11:29:45MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.