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 values for parameter set 0:['7.3078', '1.1894277', '0.75063759', '0.1412309', '0.55331834', '0.63274806', '0.085688031', '0.134954', '0.050128126', '0.25691091', '0.35291777', '0.30191187', '0.45698733', '0.00062729633', '0.81999276', '0.044896643', '0.24091541', '0.10387503', '0.4917248', '0.23807154', '0.25489954', '0.42058405', '0.50800704']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[9.1431197e-01 5.4706003e-01 1.3495400e-01] [7.4308909e-01 7.9321722e-01 3.5291777e-01] [0.0000000e+00 0.0000000e+00 0.0000000e+00] [0.0000000e+00 0.0000000e+00 5.0000000e-01] [3.3333333e-01 6.6666667e-01 7.5063759e-01] [5.4301267e-01 8.4492454e-01 6.2729633e-04] [9.5510336e-01 7.7509612e-01 2.4091541e-01] [5.0827520e-01 6.1215023e-01 2.3807154e-01] [5.7941595e-01 8.3431549e-01 5.0800704e-01] [3.3333333e-01 6.6666667e-01 1.4123090e-01] [3.3333333e-01 6.6666667e-01 5.5331834e-01]]spacegroup = 147cell = [[7.3078, 0, 0], [-3.6539, 6.3287404457759, 0], [0, 0, 8.6921]]========================================= 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":4.83,"usertime":4.60,"systime":8.99,"memmax":207516,"memavg":0} output/kim.log: --------------- 2023-11-14:13:21:31MST * 0 * information * 0x1f5b1a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:31MST * 1 * information * 0x1f5b1a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:21:31MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f5b1a0'.2023-11-14:13:21:31MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:31MST * 0 * information * 0x1f5b1a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:31MST * 0 * information * 0x1f5b660 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:31MST * 1 * information * 0x1f5b660 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1f5b1a0_Collections'.2023-11-14:13:21:31MST * 2 * information * 0x1f5b1a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f5b660'.2023-11-14:13:21:31MST * 3 * information * 0x1f5b1a0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:31MST * 1 * information * 0x1f5b1a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:21:31MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f5b1a0'.2023-11-14:13:21:31MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:31MST * 0 * information * 0x1f5b1a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:31MST * 0 * information * 0x1f5c6e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:31MST * 1 * information * 0x1f5c6e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1f5b1a0_Collections'.2023-11-14:13:21:31MST * 2 * information * 0x1f5b1a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f5c6e0'.2023-11-14:13:21:31MST * 3 * information * 0x1f5b1a0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:31MST * 1 * information * 0x1f5b1a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:21:31MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f5b1a0'.2023-11-14:13:21:31MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.