/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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-c1a8bd26-d720-4b77-a23e-5e2c6dcabbbe-007-35062bfd-28f4-4c1f-b574-eff6fbab2c31/VC_303890932454_004-and-MO_058537087384_001-1653082686/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":920.58,"usertime":922.87,"systime":20.82,"memmax":123624,"memavg":0}