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: ----------------------- A2B_hP9_154_c_aParameter names:['a', 'c/a', 'x1', 'x2', 'y2', 'z2']model type (only 'standard' supported at this time):standardnumber of parameter sets:2Parameter values for parameter set 0:['4.9702', '1.1014647', '0.4688798', '0.85495687', '0.58553966', '0.11812695']Parameter values for parameter set 1:['5.0682', '1.0946293', '0.48489843', '0.41536476', '0.23922009', '0.80786585']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'Si']representative atom coordinates = [[0.58553966 0.73058279 0.78479362] [0.5311202 0. 0.66666667]]spacegroup = 154cell = [[4.9702, 0, 0], [-2.4851, 4.3043194618894, 0], [0, 0, 5.4745]]========================================= 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":13.98,"usertime":22.90,"systime":31.67,"memmax":144460,"memavg":0} output/kim.log: --------------- 2023-04-04:10:20:44CDT * 0 * information * 0x2da8f20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:44CDT * 1 * information * 0x2da8f20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:10:20:44CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2da8f20'.2023-04-04:10:20:44CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:44CDT * 0 * information * 0x2da8f20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:44CDT * 0 * information * 0x2da9620 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:44CDT * 1 * information * 0x2da9620 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2da8f20_Collections'.2023-04-04:10:20:44CDT * 2 * information * 0x2da8f20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2da9620'.2023-04-04:10:20:45CDT * 0 * information * 0x2da8f20_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:45CDT * 0 * information * 0x2da8f20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:10:20:45CDT * 1 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2da8f20'.2023-04-04:10:20:45CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:45CDT * 0 * information * 0x2da8f20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:45CDT * 0 * information * 0x2daae40 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:20:45CDT * 1 * information * 0x2daae40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2da8f20_Collections'.2023-04-04:10:20:45CDT * 2 * information * 0x2da8f20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2daae40'.2023-04-04:10:20:45CDT * 3 * information * 0x2da8f20_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:20:45CDT * 1 * information * 0x2da8f20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:10:20:45CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2da8f20'.2023-04-04:10:20:45CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.