RuntimeError: Job process returned error code 1
Traceback (most recent call last):
File "/usr/local/bin/run_openkim_job.py", line 546, in <module>
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:
-----------------------
BFGS: 8 14:33:43 -0.060227 0.022393BFGS: 9 14:33:43 -0.062976 0.022863BFGS: 10 14:33:43 -0.065659 0.023154BFGS: 11 14:33:43 -0.068232 0.023220BFGS: 12 14:33:43 -0.070643 0.023009BFGS: 13 14:33:43 -0.072831 0.022461BFGS: 14 14:33:43 -0.074727 0.021506BFGS: 15 14:33:43 -0.076250 0.020064BFGS: 16 14:33:43 -0.077313 0.021340BFGS: 17 14:33:43 -0.077826 0.026037BFGS: 18 14:33:43 -0.077903 0.027568BFGS: 19 14:33:43 -0.078018 0.028667BFGS: 20 14:33:43 -0.078580 0.032204BFGS: 21 14:33:43 -0.079551 0.035632BFGS: 22 14:33:43 -0.080990 0.038217BFGS: 23 14:33:43 -0.082891 0.039890BFGS: 24 14:33:43 -0.085214 0.040550BFGS: 25 14:33:43 -0.087933 0.040614BFGS: 26 14:33:43 -0.091045 0.045055BFGS: 27 14:33:43 -0.094577 0.049140
output/pipeline.stderr:
-----------------------
File "../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner", line 142, in <module> forces = atoms.get_forces() 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 502, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 357, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 463, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 618, 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: Too many ghost atoms (src/REAXFF/pair_reaxff.cpp:541)Command exited with non-zero status 1{"realtime":3.79,"usertime":6.52,"systime":22.18,"memmax":135156,"memavg":0}
output/kim.log:
---------------
2024-05-17:14:33:43MDT * 0 * information * 0x29e7710 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:33:43MDT * 1 * information * 0x29e7710 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:14:33:43MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e7710'.2024-05-17:14:33:43MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:33:43MDT * 0 * information * 0x29e7710 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:33:43MDT * 0 * information * 0x29e7b20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:33:43MDT * 1 * information * 0x29e7b20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x29e7710_Collections'.2024-05-17:14:33:43MDT * 2 * information * 0x29e7710_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e7b20'.2024-05-17:14:33:43MDT * 3 * information * 0x29e7710_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:33:43MDT * 1 * information * 0x29e7710 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:14:33:43MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e7710'.2024-05-17:14:33:43MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:33:43MDT * 0 * information * 0x29e7710 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:33:43MDT * 0 * information * 0x29e87d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:33:43MDT * 1 * information * 0x29e87d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x29e7710_Collections'.2024-05-17:14:33:43MDT * 2 * information * 0x29e7710_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e87d0'.2024-05-17:14:33:43MDT * 3 * information * 0x29e7710_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:33:43MDT * 1 * information * 0x29e7710 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:14:33:43MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e7710'.2024-05-17:14:33:43MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.