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: ----------------------- model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.8991', '0.47067625', '0.94183315', '154.3584', '0.24297983', '0.65472244', '0.73408468', '0.25702596', '0.089305958', '0.56129139', '0.12158544', '0.95112095', '0.72065888', '0.49193301', '0.20152263', '0.1551215', '0.074114535', '0.39067899', '0.70372689', '0.36433237', '0.26748931', '0.82538496', '0.25958703', '0.18674694', '0.84694729']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Ca', 'Ca', 'O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.75702017 0.65472244 0.50889515] [0.74297404 0.08930596 0.69573457] [0.87841456 0.95112095 0.40092656] [0.50806699 0.20152263 0.33681151] [0.92588547 0.39067899 0.37038764] [0.63566763 0.26748931 0.53894741] [0.74041297 0.18674694 0.41263974]]spacegroup = 14cell = [[5.6061, 0, 0], [0, 6.0713, 0], [1.1269210197829, 0, 12.096420563752]]========================================= 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":4.64,"usertime":4.15,"systime":7.10,"memmax":184260,"memavg":0} output/kim.log: --------------- 2023-11-14:13:24:25MST * 0 * information * 0x36d3fc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:25MST * 1 * information * 0x36d3fc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:24:25MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36d3fc0'.2023-11-14:13:24:25MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:25MST * 0 * information * 0x36d3fc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:25MST * 0 * information * 0x36d45e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:25MST * 1 * information * 0x36d45e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x36d3fc0_Collections'.2023-11-14:13:24:25MST * 2 * information * 0x36d3fc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36d45e0'.2023-11-14:13:24:25MST * 3 * information * 0x36d3fc0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:25MST * 1 * information * 0x36d3fc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:24:25MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36d3fc0'.2023-11-14:13:24:25MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:25MST * 0 * information * 0x36d3fc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:25MST * 0 * information * 0x36d5800 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:25MST * 1 * information * 0x36d5800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x36d3fc0_Collections'.2023-11-14:13:24:25MST * 2 * information * 0x36d3fc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36d5800'.2023-11-14:13:24:25MST * 3 * information * 0x36d3fc0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:25MST * 1 * information * 0x36d3fc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:24:25MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36d3fc0'.2023-11-14:13:24:25MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.