[ase-users] ASE error in parallel runs

[Ask Hjorth Larsen]

Dear Kristen,

Am Do., 7. Nov. 2019 um 15:46 Uhr schrieb Kristen Kaasbjerg via
ase-users <ase-users at listserv.fysik.dtu.dk>:
>
> 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.

I don't quite know, but it's more of a GPAW question since ASE doesn't
do much parallelization by itself.  I have added gpaw-users to
recipients.

Best regards
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