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: ----------------------- A3B4_mP14_14_ae_2eParameter names:['a', 'b/a', 'c/a', 'beta', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.9032', '1.5834293', '0.97636875', '142.9688', '0.71032317', '0.64231624', '0.7602652', '0.52075613', '0.54790584', '0.29360513', '0.95922635', '0.81066349', '0.78473']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Ag', 'Ag', 'O', 'O']representative atom coordinates = [[0. 0. 0. ] [0.28967683 0.64231624 0.95005797] [0.47924387 0.54790584 0.227151 ] [0.04077365 0.81066349 0.17449635]]spacegroup = 14cell = [[3.7073, 0, 0], [0, 9.3473, 0], [1.6341626024692, 0, 5.527182851932]]========================================= 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":15.43,"usertime":25.49,"systime":31.00,"memmax":107840,"memavg":0} output/kim.log: --------------- 2023-04-06:12:20:19CDT * 0 * information * 0x2ffd910 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:12:20:19CDT * 1 * information * 0x2ffd910 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-06:12:20:19CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ffd910'.2023-04-06:12:20:19CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:12:20:19CDT * 0 * information * 0x2ffd910 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:12:20:19CDT * 0 * information * 0x2ffe010 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:12:20:19CDT * 1 * information * 0x2ffe010 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ffd910_Collections'.2023-04-06:12:20:19CDT * 2 * information * 0x2ffd910_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ffe010'.2023-04-06:12:20:19CDT * 3 * information * 0x2ffd910_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:12:20:19CDT * 1 * information * 0x2ffd910 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-06:12:20:19CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ffd910'.2023-04-06:12:20:19CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:12:20:19CDT * 0 * information * 0x2ffd910 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:12:20:19CDT * 0 * information * 0x2fff910 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:12:20:19CDT * 1 * information * 0x2fff910 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ffd910_Collections'.2023-04-06:12:20:19CDT * 2 * information * 0x2ffd910_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2fff910'.2023-04-06:12:20:19CDT * 3 * information * 0x2ffd910_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:12:20:19CDT * 1 * information * 0x2ffd910 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-06:12:20:19CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ffd910'.2023-04-06:12:20:19CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.