Traceback (most recent call last):
  File "/work2/08773/bwaters/stampede2/bwaters/job-569b9ea0-4d46-445c-b762-f6f91492366c-007-a1b4553a-c474-4045-8d85-83e677d8e580/VC_710586816390_003-and-SM_154093256665_000-1688584549/staged_job_files/repository/vc/ForcesNumerDeriv__VC_710586816390_003/runner", line 62, in <module>
  File "/usr/local/lib/python3.8/dist-packages/ase/lattice/__init__.py", line 8, in <module>
  File "/usr/local/lib/python3.8/dist-packages/ase/build/__init__.py", line 10, in <module>
    from ase.build.molecule import molecule
  File "/usr/local/lib/python3.8/dist-packages/ase/build/molecule.py", line 2, in <module>
    from ase.collections import g2
  File "/usr/local/lib/python3.8/dist-packages/ase/collections/__init__.py", line 1, in <module>
    from ase.collections.collection import Collection
  File "/usr/local/lib/python3.8/dist-packages/ase/collections/collection.py", line 3, in <module>
    from ase.db.row import AtomsRow
  File "/usr/local/lib/python3.8/dist-packages/ase/db/__init__.py", line 1, in <module>
    from ase.db.core import connect
  File "/usr/local/lib/python3.8/dist-packages/ase/db/core.py", line 16, in <module>
    from ase.db.row import AtomsRow
  File "/usr/local/lib/python3.8/dist-packages/ase/db/row.py", line 7, in <module>
    from ase.constraints import dict2constraint
  File "/usr/local/lib/python3.8/dist-packages/ase/constraints.py", line 5, in <module>
    from scipy.linalg import expm, logm
  File "/usr/local/lib/python3.8/dist-packages/scipy/linalg/__init__.py", line 216, in <module>
    from ._sketches import *
  File "/usr/local/lib/python3.8/dist-packages/scipy/linalg/_sketches.py", line 9, in <module>
    from scipy.sparse import csc_matrix
  File "/usr/local/lib/python3.8/dist-packages/scipy/sparse/__init__.py", line 283, in <module>
    from . import csgraph
  File "/usr/local/lib/python3.8/dist-packages/scipy/sparse/csgraph/__init__.py", line 185, in <module>
    from ._laplacian import laplacian
  File "/usr/local/lib/python3.8/dist-packages/scipy/sparse/csgraph/_laplacian.py", line 7, in <module>
    from scipy.sparse.linalg import LinearOperator
  File "/usr/local/lib/python3.8/dist-packages/scipy/sparse/linalg/__init__.py", line 121, in <module>
    from ._dsolve import *
  File "<frozen importlib._bootstrap>", line 991, in _find_and_load
  File "<frozen importlib._bootstrap>", line 975, in _find_and_load_unlocked
  File "<frozen importlib._bootstrap>", line 671, in _load_unlocked
  File "<frozen importlib._bootstrap_external>", line 844, in exec_module
  File "<frozen importlib._bootstrap_external>", line 939, in get_code
  File "<frozen importlib._bootstrap_external>", line 1037, in get_data
MemoryError
Command exited with non-zero status 1

{"realtime":4.15,"usertime":4.11,"systime":15.95,"memmax":77352,"memavg":0}