/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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-02f30fe3-7ea7-4126-bb77-861fa07eec2f-007-4b6ebf7f-f1a0-44d9-afaa-77f5f24a9f79/VC_303890932454_004-and-MO_820335782779_000-1659562854/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":588.29,"usertime":581.80,"systime":3.36,"memmax":314564,"memavg":0}