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: ----------------------- standardnumber of parameter sets:1Parameter values for parameter set 0:['28.2106', '0.32787676', '0.30932699', '88.4553', '0.78778738', '0.76098757', '0.011120134', '0.80831263', '0.58207453', '0.12870855', '0.84551243', '0.43588472', '0.99810019', '0.80504814', '0.24240855', '0.93578285', '0.78160951', '0.13414412', '0.10961882', '0.96731813', '0.68826263', '0.31004419', '0.96807209', '0.82025016', '0.50319356', '0.96723916', '0.68801015', '0.69614528']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S']representative atom coordinates = [[0.71221262 0.26098757 0.98887987] [0.69168737 0.08207453 0.87129145] [0.65448757 0.93588472 0.00189981] [0.69495186 0.74240855 0.06421715] [0.71839049 0.63414412 0.89038118] [0.53268187 0.18826263 0.68995581] [0.53192791 0.32025016 0.49680644] [0.53276084 0.18801015 0.30385472]]spacegroup = 15cell = [[28.2106, 0, 0], [0, 9.2496, 0], [0.23523343009795, 0, 8.7231288494074]]========================================= 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":6.23,"usertime":4.88,"systime":7.04,"memmax":308960,"memavg":0} output/kim.log: --------------- 2023-05-08:09:38:29MDT * 0 * information * 0x316d9a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:38:29MDT * 1 * information * 0x316d9a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:09:38:29MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x316d9a0'.2023-05-08:09:38:29MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:38:29MDT * 0 * information * 0x316d9a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:38:29MDT * 0 * information * 0x316de60 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:38:29MDT * 1 * information * 0x316de60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x316d9a0_Collections'.2023-05-08:09:38:29MDT * 2 * information * 0x316d9a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x316de60'.2023-05-08:09:38:29MDT * 3 * information * 0x316d9a0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:38:29MDT * 1 * information * 0x316d9a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:09:38:29MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x316d9a0'.2023-05-08:09:38:29MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:38:29MDT * 0 * information * 0x316d9a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:38:29MDT * 0 * information * 0x316f1b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:38:29MDT * 1 * information * 0x316f1b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x316d9a0_Collections'.2023-05-08:09:38:29MDT * 2 * information * 0x316d9a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x316f1b0'.2023-05-08:09:38:29MDT * 3 * information * 0x316d9a0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:38:29MDT * 1 * information * 0x316d9a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:09:38:29MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x316d9a0'.2023-05-08:09:38:29MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.