Traceback (most recent call last): File "/work/07753/dskarls/stampede2/jobs/dskarls/job-ce906cfe-bd60-4e51-8441-384be38b30dc-007-5020f845-9f99-42e7-a844-92bda02668fe/VC_895061507745_003-and-SM_239791545509_000-1653350006/staged_job_files/repository/vc/PeriodicitySupport__VC_895061507745_003/runner", line 55, in File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/__init__.py", line 1, in from .core import * File "/usr/local/lib/python3.8/dist-packages/kim_python_utils/ase/core.py", line 42, in from ase.calculators.kim.kim import KIM File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/__init__.py", line 2, in from .kim import KIM, get_model_supported_species File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kim.py", line 17, in from .calculators import ( File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/calculators.py", line 5, in from ase.calculators.lammpsrun import LAMMPS File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpsrun.py", line 43, in from ase.io.lammpsdata import write_lammps_data File "/usr/local/lib/python3.8/dist-packages/ase/io/__init__.py", line 1, in from ase.io.trajectory import Trajectory, PickleTrajectory File "/usr/local/lib/python3.8/dist-packages/ase/io/trajectory.py", line 8, in from ase.constraints import dict2constraint File "/usr/local/lib/python3.8/dist-packages/ase/constraints.py", line 5, in from scipy.linalg import expm, logm File "/usr/local/lib/python3.8/dist-packages/scipy/linalg/__init__.py", line 196, in from .basic import * File "", line 991, in _find_and_load File "", line 975, in _find_and_load_unlocked File "", line 671, in _load_unlocked File "", line 844, in exec_module File "", line 939, in get_code File "", line 1038, in get_data MemoryError Command exited with non-zero status 1 {"realtime":1.99,"usertime":6.49,"systime":18.06,"memmax":67644,"memavg":0}