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: ----------------------- ['Cu', 'H']AFLOW prototype label:AB_hP4_186_b_bParameter names:['a', 'c/a', 'z1', 'z2']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['2.8556', '1.5904188', '0.99605448', '0.37894552']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Cu', 'H']representative atom coordinates = [[0.33333333 0.66666667 0.99605448] [0.33333333 0.66666667 0.37894552]]spacegroup = 186cell = [[2.8556, 0, 0], [-1.4278, 2.4730221430468, 0], [0, 0, 4.5416]]========================================= 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":14.27,"usertime":21.28,"systime":31.30,"memmax":119032,"memavg":0} output/kim.log: --------------- 2023-04-17:12:44:33CDT * 0 * information * 0x3a04b00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:44:33CDT * 1 * information * 0x3a04b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-17:12:44:33CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3a04b00'.2023-04-17:12:44:33CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:44:33CDT * 0 * information * 0x3a04b00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:44:33CDT * 0 * information * 0x3a05200 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:44:33CDT * 1 * information * 0x3a05200 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3a04b00_Collections'.2023-04-17:12:44:33CDT * 2 * information * 0x3a04b00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3a05200'.2023-04-17:12:44:33CDT * 3 * information * 0x3a04b00_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:44:33CDT * 1 * information * 0x3a04b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:12:44:33CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3a04b00'.2023-04-17:12:44:33CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:44:33CDT * 0 * information * 0x3a04b00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:44:33CDT * 0 * information * 0x3a06a20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:44:33CDT * 1 * information * 0x3a06a20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3a04b00_Collections'.2023-04-17:12:44:33CDT * 2 * information * 0x3a04b00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3a06a20'.2023-04-17:12:44:33CDT * 3 * information * 0x3a04b00_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:44:33CDT * 1 * information * 0x3a04b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:12:44:33CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3a04b00'.2023-04-17:12:44:34CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.