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: ----------------------- [8.0375968e-01 7.7409786e-01 3.1855953e-01] [1.9739195e-01 2.3939895e-01 6.7601528e-01] [3.0149763e-01 0.0000000e+00 4.5131852e-01] [2.9943997e-03 0.0000000e+00 5.0513678e-01] [9.1803675e-01 0.0000000e+00 6.3256047e-02] [6.4162026e-01 0.0000000e+00 2.7463756e-01] [8.7194075e-01 0.0000000e+00 8.1133456e-01] [6.9049868e-01 0.0000000e+00 5.2955215e-01] [7.6655934e-01 0.0000000e+00 1.4870021e-01] [2.6134485e-01 0.0000000e+00 8.9145177e-01] [3.4970353e-01 0.0000000e+00 7.1183554e-01] [6.0310106e-01 6.8778974e-01 5.8897812e-02] [9.5774636e-01 3.1250488e-01 2.8009789e-01] [3.8285454e-02 3.1240887e-01 7.1292727e-01] [4.3069994e-01 0.0000000e+00 6.4531127e-01] [5.6161965e-01 0.0000000e+00 3.4066414e-01] [1.8156839e-04 0.0000000e+00 9.9974051e-01]]spacegroup = 8cell = [[12.4033, 0, 0], [0, 7.1641, 0], [-8.2834655684532, 0, 8.6521140645654]]========================================= 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":4.54,"usertime":5.94,"systime":17.83,"memmax":235812,"memavg":0} output/kim.log: --------------- 2023-11-17:13:45:02MST * 0 * information * 0x20bba90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:45:02MST * 1 * information * 0x20bba90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:45:02MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20bba90'.2023-11-17:13:45:02MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:45:02MST * 0 * information * 0x20bba90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:45:02MST * 0 * information * 0x20bbfb0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:45:02MST * 1 * information * 0x20bbfb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x20bba90_Collections'.2023-11-17:13:45:02MST * 2 * information * 0x20bba90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20bbfb0'.2023-11-17:13:45:02MST * 3 * information * 0x20bba90_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:45:02MST * 1 * information * 0x20bba90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:45:02MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20bba90'.2023-11-17:13:45:02MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:45:02MST * 0 * information * 0x20bba90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:45:02MST * 0 * information * 0x20bd1d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:45:02MST * 1 * information * 0x20bd1d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x20bba90_Collections'.2023-11-17:13:45:02MST * 2 * information * 0x20bba90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20bd1d0'.2023-11-17:13:45:02MST * 3 * information * 0x20bba90_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:45:02MST * 1 * information * 0x20bba90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:45:02MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20bba90'.2023-11-17:13:45:02MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.