/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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) /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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] /work2/08773/bwaters/stampede2/bwaters/job-4768d08f-dbbb-4229-bf4d-620f28f44ae5-007-c563324c-7461-44e5-99d6-233048b0044e/VC_303890932454_004-and-MO_262519520678_001-1657920366/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":17171.31,"usertime":17166.36,"systime":28.51,"memmax":149788,"memavg":0}