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: ----------------------- AFLOW prototype label:AB2_oP12_62_c_2cParameter names:['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.874', '0.6061287', '1.1489105', '0.76021679', '0.8901829', '0.64468759', '0.5730107', '0.026180425', '0.32233202']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Ca', 'H', 'H']representative atom coordinates = [[0.76021679 0.25 0.8901829 ] [0.64468759 0.25 0.5730107 ] [0.02618043 0.25 0.32233202]]spacegroup = 62cell = [[5.874, 0, 0], [0, 3.5604, 0], [0, 0, 6.7487]]========================================= 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":3.40,"usertime":3.62,"systime":10.81,"memmax":156628,"memavg":0} output/kim.log: --------------- 2023-04-07:15:36:08MDT * 0 * information * 0x32f7ee0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:08MDT * 1 * information * 0x32f7ee0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-07:15:36:08MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f7ee0'.2023-04-07:15:36:08MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:08MDT * 0 * information * 0x32f7ee0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:08MDT * 0 * information * 0x32f8310 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:08MDT * 1 * information * 0x32f8310 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x32f7ee0_Collections'.2023-04-07:15:36:08MDT * 2 * information * 0x32f7ee0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f8310'.2023-04-07:15:36:08MDT * 3 * information * 0x32f7ee0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:08MDT * 1 * information * 0x32f7ee0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-07:15:36:08MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f7ee0'.2023-04-07:15:36:08MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:08MDT * 0 * information * 0x32f7ee0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:08MDT * 0 * information * 0x32f9430 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:08MDT * 1 * information * 0x32f9430 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x32f7ee0_Collections'.2023-04-07:15:36:08MDT * 2 * information * 0x32f7ee0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f9430'.2023-04-07:15:36:08MDT * 3 * information * 0x32f7ee0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:08MDT * 1 * information * 0x32f7ee0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-07:15:36:08MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32f7ee0'.2023-04-07:15:36:08MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.