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:['5.4893', '0.74322773', '1.4206001', '0.6990628', '0.89428418', '0.16466362', '0.93266666', '0.040548312', '0.29194873']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Pd', 'Pd']representative atom coordinates = [[0.6990628 0.25 0.89428418] [0.16466362 0.25 0.93266666] [0.04054831 0.25 0.29194873]]spacegroup = 62cell = [[5.4893, 0, 0], [0, 4.0798, 0], [0, 0, 7.7981]]========================================= 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":3.30,"usertime":2.63,"systime":8.18,"memmax":151300,"memavg":0} output/kim.log: --------------- 2023-09-22:13:36:49MDT * 0 * information * 0x2b68520 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:36:49MDT * 1 * information * 0x2b68520 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-22:13:36:49MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b68520'.2023-09-22:13:36:49MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:36:49MDT * 0 * information * 0x2b68520 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:36:49MDT * 0 * information * 0x2b68950 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:36:49MDT * 1 * information * 0x2b68950 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b68520_Collections'.2023-09-22:13:36:49MDT * 2 * information * 0x2b68520_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b68950'.2023-09-22:13:36:49MDT * 3 * information * 0x2b68520_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:36:49MDT * 1 * information * 0x2b68520 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-22:13:36:49MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b68520'.2023-09-22:13:36:49MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:36:49MDT * 0 * information * 0x2b68520 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:36:49MDT * 0 * information * 0x2b698c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:36:49MDT * 1 * information * 0x2b698c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b68520_Collections'.2023-09-22:13:36:49MDT * 2 * information * 0x2b68520_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b698c0'.2023-09-22:13:36:49MDT * 3 * information * 0x2b68520_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:36:49MDT * 1 * information * 0x2b68520 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-22:13:36:49MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b68520'.2023-09-22:13:36:49MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.