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:ABC_mP6_11_e_e_eParameter names:['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.9214', '0.57852873', '0.57871449', '103.4564', '0.39868281', '0.93352031', '0.82581895', '0.6816439', '0.23079164', '0.83246322']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'Na', 'O']representative atom coordinates = [[0.06647969 0.25 0.39868281] [0.3183561 0.25 0.82581895] [0.16753678 0.25 0.23079164]]spacegroup = 11cell = [[3.4268, 0, 0], [0, 3.4257, 0], [1.3779415084418, 0, 5.7588414771821]]========================================= 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":3.52,"usertime":4.49,"systime":12.29,"memmax":155668,"memavg":0} output/kim.log: --------------- 2023-11-27:11:15:28MST * 0 * information * 0x31dba30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 1 * information * 0x31dba30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-27:11:15:28MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31dba30'.2023-11-27:11:15:28MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 0 * information * 0x31dba30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 0 * information * 0x31dbef0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 1 * information * 0x31dbef0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x31dba30_Collections'.2023-11-27:11:15:28MST * 2 * information * 0x31dba30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31dbef0'.2023-11-27:11:15:28MST * 3 * information * 0x31dba30_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 1 * information * 0x31dba30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:15:28MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31dba30'.2023-11-27:11:15:28MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 0 * information * 0x31dba30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 0 * information * 0x31690a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 1 * information * 0x31690a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x31dba30_Collections'.2023-11-27:11:15:28MST * 2 * information * 0x31dba30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31690a0'.2023-11-27:11:15:28MST * 3 * information * 0x31dba30_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 1 * information * 0x31dba30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:15:28MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31dba30'.2023-11-27:11:15:28MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.