/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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-4a9697ed-293a-4c2b-a9a3-c9b99b88952d-007-71c87c0e-bbd5-4cf8-9319-29b51c087bfc/VC_303890932454_004-and-MO_616776018688_004-1639592781/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":56.75,"usertime":58.42,"systime":20.51,"memmax":89028,"memavg":0}