[ase-users] ASE error in parallel runs

[Kristen Kaasbjerg]

Dear mailing list,

Anyone knows why I get the error below in parallel runs?

Thanks,
Kristen


RANK 0:
Traceback (most recent call last):
  File "/zhome/09/d/21651/ase-3.18.1/ase/parallel.py", line 244, in new_generator
    broadcast((None, result))
  File "/zhome/09/d/21651/ase-3.18.1/ase/parallel.py", line 181, in broadcast
    comm.broadcast(string, root)
TypeError: Not a proper NumPy array for MPI communication.

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/zhome/09/d/21651/gpaw_git/gpaw/test/__init__.py", line 669, in run_one
    exec(compile(fd.read(), filename, 'exec'), loc)
  File "/zhome/09/d/21651/gpaw_git/gpaw/test/ase_features/ase3k.py", line 21, in <module>
    H = read('H.txt')
  File "/zhome/09/d/21651/ase-3.18.1/ase/io/formats.py", line 498, in read
    parallel=parallel, **kwargs))
  File "/zhome/09/d/21651/ase-3.18.1/ase/parallel.py", line 247, in new_generator
    broadcast((ex, None))
  File "/zhome/09/d/21651/ase-3.18.1/ase/parallel.py", line 181, in broadcast
    comm.broadcast(string, root)
TypeError: Not a proper NumPy array for MPI communication.
#############################################################################
RANK 1,2,3:
Traceback (most recent call last):
  File "/zhome/09/d/21651/gpaw_git/gpaw/test/__init__.py", line 669, in run_one
    exec(compile(fd.read(), filename, 'exec'), loc)
  File "/zhome/09/d/21651/gpaw_git/gpaw/test/ase_features/ase3k.py", line 21, in <module>
    H = read('H.txt')
  File "/zhome/09/d/21651/ase-3.18.1/ase/io/formats.py", line 498, in read
    parallel=parallel, **kwargs))
  File "/zhome/09/d/21651/ase-3.18.1/ase/parallel.py", line 251, in new_generator
    ex, result = broadcast((None, None))
  File "/zhome/09/d/21651/ase-3.18.1/ase/parallel.py", line 185, in broadcast
    return pickle.loads(string.tobytes())
_pickle.UnpicklingError: invalid load key, '^'.
#############################################################################


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