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', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2']model type (only 'standard' supported at this time):standardnumber of parameter sets:3Parameter values for parameter set 0:['3.3303', '3.4415518', '0.87168765', '0.41875442', '0.0064889194', '0.16347125', '0.096676489', '0.28529579']Parameter values for parameter set 1:['4.1409', '1.8812335', '0.92909713', '0.29905445', '0.12597662', '0.05296338', '0.18333488', '0.21882133']Parameter values for parameter set 2:['3.326', '3.4024053', '0.8100756', '0.35315499', '0.0064663943', '0.22091196', '0.035440868', '0.28718425']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'O']representative atom coordinates = [[0.87168765 0.41875442 0.00648892] [0.16347125 0.09667649 0.28529579]]spacegroup = 92cell = [[3.3303, 0, 0], [0, 3.3303, 0], [0, 0, 11.4614]]========================================= 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":3.96,"usertime":3.59,"systime":10.20,"memmax":153920,"memavg":0} output/kim.log: --------------- 2023-04-24:12:07:02MDT * 0 * information * 0x2ccfe20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:07:02MDT * 1 * information * 0x2ccfe20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-24:12:07:02MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ccfe20'.2023-04-24:12:07:02MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:07:02MDT * 0 * information * 0x2ccfe20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:07:02MDT * 0 * information * 0x2cd0430 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:07:02MDT * 1 * information * 0x2cd0430 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ccfe20_Collections'.2023-04-24:12:07:02MDT * 2 * information * 0x2ccfe20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cd0430'.2023-04-24:12:07:02MDT * 3 * information * 0x2ccfe20_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:07:02MDT * 1 * information * 0x2ccfe20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:12:07:02MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ccfe20'.2023-04-24:12:07:02MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:07:02MDT * 0 * information * 0x2ccfe20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:07:02MDT * 0 * information * 0x2cd17f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:07:02MDT * 1 * information * 0x2cd17f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ccfe20_Collections'.2023-04-24:12:07:02MDT * 2 * information * 0x2ccfe20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cd17f0'.2023-04-24:12:07:02MDT * 3 * information * 0x2ccfe20_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:07:02MDT * 1 * information * 0x2ccfe20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:12:07:02MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ccfe20'.2023-04-24:12:07:02MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.