/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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) /scratch.hyperion/kim-jobs/jobs/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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) /scratch.hyperion/kim-jobs/jobs/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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/bwaters/job-49fdde71-9a85-4bc5-8b01-f3728d7f251f-007-756323b7-2a4e-4a51-b0a8-f55a01648850/VC_303890932454_004-and-MO_794973922560_000-1659739049/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":11.30,"usertime":9.00,"systime":1.43,"memmax":59508,"memavg":0}