/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) /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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) /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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) /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-5094a5b3-3fad-4354-9f7a-259e7bec4835-007-5c0d81b3-7bae-4aac-821c-f1225cc2c4e5/VC_303890932454_004-and-MO_131642768288_001-1651802595/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":742.37,"usertime":745.09,"systime":20.38,"memmax":120704,"memavg":0}