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', 'beta', '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:['7.0382', '1.1901196', '0.78304112', '80.0886', '0.81146923', '0.9742149', '0.43188016', '0.69401684', '0.19172755', '0.76169962', '0.81994213', '0.92906867', '0.92873698', '0.50133182', '0.90628269', '0.2498968', '0.70528806', '0.00048762245', '0.71739382', '0.26557668', '0.87432857', '0.78824212']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 = [[1.8853077e-01 9.7421490e-01 5.6811984e-01] [3.0598316e-01 1.9172755e-01 2.3830038e-01] [1.8005787e-01 9.2906867e-01 7.1263020e-02] [4.9866818e-01 9.0628269e-01 7.5010320e-01] [2.9471194e-01 4.8762245e-04 2.8260618e-01] [7.3442332e-01 8.7432857e-01 2.1175788e-01]]spacegroup = 5cell = [[7.0382, 0, 0], [0, 8.3763, 0], [0.94861586020801, 0, 5.4289458820071]]========================================= 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":4.44,"usertime":3.99,"systime":7.27,"memmax":131748,"memavg":0} output/kim.log: --------------- 2023-04-04:09:32:19MDT * 0 * information * 0x2aff290 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:09:32:19MDT * 1 * information * 0x2aff290 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:09:32:19MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aff290'.2023-04-04:09:32:19MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:09:32:19MDT * 0 * information * 0x2aff290 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:09:32:19MDT * 0 * information * 0x2aff6c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:09:32:19MDT * 1 * information * 0x2aff6c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2aff290_Collections'.2023-04-04:09:32:19MDT * 2 * information * 0x2aff290_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aff6c0'.2023-04-04:09:32:19MDT * 3 * information * 0x2aff290_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:09:32:19MDT * 1 * information * 0x2aff290 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:09:32:19MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aff290'.2023-04-04:09:32:19MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:09:32:19MDT * 0 * information * 0x2aff290 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:09:32:19MDT * 0 * information * 0x2b00810 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:09:32:19MDT * 1 * information * 0x2b00810 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2aff290_Collections'.2023-04-04:09:32:19MDT * 2 * information * 0x2aff290_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b00810'.2023-04-04:09:32:19MDT * 3 * information * 0x2aff290_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:09:32:19MDT * 1 * information * 0x2aff290 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:09:32:19MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aff290'.2023-04-04:09:32:19MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.