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ITA-Solar / rh

RH 1.5D
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HDF5 error with Si IV atom #15

Closed tiagopereira closed 6 years ago

tiagopereira commented 6 years ago

When running with SiIV.atom, RH is crashing with the following error:

HDF5-DIAG: Error detected in HDF5 (1.8.16) MPI-process 0:
  #000: H5O.c line 1061 in H5Oclose(): unable to close object
    major: Object header
    minor: Unable to release object
  #001: H5I.c line 1491 in H5I_dec_app_ref(): can't decrement ID ref count
    major: Object atom
    minor: Unable to decrement reference count
  #002: H5Dint.c line 1401 in H5D_close(): unable to flush cached dataset info
    major: Dataset
    minor: Write failed
  #003: H5Dint.c line 2305 in H5D__flush_real(): unable to update layout/pline/efl info
    major: Dataset
    minor: Write failed
  #004: H5Dlayout.c line 479 in H5D__layout_oh_write(): unable to update layout message
    major: Dataset
    minor: Write failed
  #005: H5Omessage.c line 335 in H5O_msg_write_oh(): unable to write object header message
    major: Object header
    minor: Write failed
  #006: H5Omessage.c line 389 in H5O_msg_write_real(): unable to modify constant message
    major: Object header
    minor: Write failed
Process    0: (EEE) init_aux_new: HDF5 error.

Other atoms (e.g. Si.atom) work fine.

tiagopereira commented 6 years ago

This was happening because ncont=0 in that atom, and HDF5 did not like setting a dimension with a value of zero. Fixed in 881e32e16b7661e85c75897c49552b6ebac2172e.