/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-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_303890932454_004-and-MO_774917820956_000-1657921820/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-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_303890932454_004-and-MO_774917820956_000-1657921820/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-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_303890932454_004-and-MO_774917820956_000-1657921820/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-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_303890932454_004-and-MO_774917820956_000-1657921820/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-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_303890932454_004-and-MO_774917820956_000-1657921820/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":52.82,"usertime":54.16,"systime":20.80,"memmax":92516,"memavg":0}