/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) /scratch.hyperion/kim-jobs/jobs/dskarls/job-04d44d5c-45a2-448f-84bf-129b42772240-007-0e9ba43a-7dd2-4dcc-9fa9-ea2b10e2ec57/VC_303890932454_004-and-MO_700541006254_001-1641837121/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-04d44d5c-45a2-448f-84bf-129b42772240-007-0e9ba43a-7dd2-4dcc-9fa9-ea2b10e2ec57/VC_303890932454_004-and-MO_700541006254_001-1641837121/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-04d44d5c-45a2-448f-84bf-129b42772240-007-0e9ba43a-7dd2-4dcc-9fa9-ea2b10e2ec57/VC_303890932454_004-and-MO_700541006254_001-1641837121/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-04d44d5c-45a2-448f-84bf-129b42772240-007-0e9ba43a-7dd2-4dcc-9fa9-ea2b10e2ec57/VC_303890932454_004-and-MO_700541006254_001-1641837121/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] /scratch.hyperion/kim-jobs/jobs/dskarls/job-04d44d5c-45a2-448f-84bf-129b42772240-007-0e9ba43a-7dd2-4dcc-9fa9-ea2b10e2ec57/VC_303890932454_004-and-MO_700541006254_001-1641837121/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":14.47,"usertime":13.10,"systime":1.70,"memmax":82516,"memavg":0}