/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /scratch.hyperion/kim-jobs/jobs/dskarls/job-5b6d7c88-32a4-43a7-a723-bb46faac74b3-007-97eb65f8-fece-4fde-b256-54521e6e5c4a/VC_303890932454_004-and-MO_427873955970_001-1640667957/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) {"realtime":3819.18,"usertime":3808.80,"systime":3.21,"memmax":125164,"memavg":0}