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: ----------------------- [7.3548521e-01 9.3851711e-01 3.7514789e-01] [5.6124333e-01 7.3596385e-01 6.2421019e-01] [4.3947435e-01 2.6404866e-01 1.2436040e-01] [4.1754726e-01 1.5891552e-01 9.0468265e-01] [5.8177521e-01 8.4117668e-01 4.0462799e-01] [1.5794217e-01 8.2976040e-02 6.5298673e-01] [8.4154112e-01 9.1729957e-01 1.5393139e-01] [2.6765300e-01 2.4379602e-01 1.9179960e-02] [7.3236290e-01 7.5583288e-01 5.2001741e-01] [7.5615722e-01 7.6813290e-01 2.6963889e-01] [0.0000000e+00 7.1156954e-01 0.0000000e+00] [0.0000000e+00 2.8756338e-01 5.0000000e-01] [7.8846208e-01 4.7257000e-04 2.4975089e-01] [3.2621057e-01 2.9913936e-01 1.4271454e-01] [6.7321666e-01 7.0134132e-01 6.4248792e-01] [7.0013202e-01 8.2556780e-01 3.9296527e-01] [2.9946481e-01 1.7399350e-01 8.9166851e-01]]spacegroup = 5cell = [[13.7426, 0, 0], [0, 13.7784, 0], [0.017115859954477, 0, 9.767585003845]]========================================= 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":6.21,"usertime":6.74,"systime":14.60,"memmax":283480,"memavg":0} output/kim.log: --------------- 2023-09-18:11:29:19MDT * 0 * information * 0x3449230 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:19MDT * 1 * information * 0x3449230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:11:29:19MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3449230'.2023-09-18:11:29:19MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:19MDT * 0 * information * 0x3449230 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:19MDT * 0 * information * 0x34498d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:19MDT * 1 * information * 0x34498d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3449230_Collections'.2023-09-18:11:29:19MDT * 2 * information * 0x3449230_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34498d0'.2023-09-18:11:29:19MDT * 3 * information * 0x3449230_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:19MDT * 1 * information * 0x3449230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:29:19MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3449230'.2023-09-18:11:29:19MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:19MDT * 0 * information * 0x3449230 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:19MDT * 0 * information * 0x344a9e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:19MDT * 1 * information * 0x344a9e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3449230_Collections'.2023-09-18:11:29:19MDT * 2 * information * 0x3449230_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x344a9e0'.2023-09-18:11:29:19MDT * 3 * information * 0x3449230_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:19MDT * 1 * information * 0x3449230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:29:19MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3449230'.2023-09-18:11:29:19MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.