[gpaw-users] TypeError after upgrade to GPAW 1.0.0

[Stankus, Brian]

Hi All,

Since my recent upgrade to Version 1.0.0, I've been encountering a fatal
error that occurs even when using simple input files that ran successfully
with the previous GPAW version. I quote an excerpt from one output below:

  File "/gpfs/data/pweber/share/goddpaw/ase/ase/calculators/neighborlist.py",
> line 81, in build
> TypeError: ufunc 'rint' output (typecode 'd') could not be coerced to
> provided output parameter (typecode 'l') according to the casting rule
> ''same_kind''
>   File "/gpfs/data/pweber/share/goddpaw/gpaw/gpaw/lcao/overlap.py", line
> 367, in set_positions
>     self.atoms_close.set_positions(spos_ac)
> TypeError: ufunc 'rint' output (typecode 'd') could not be coerced to
> provided output parameter (typecode 'l') according to the casting rule
> ''same_kind''
> GPAW CLEANUP (node 11): <type 'exceptions.TypeError'> occurred.  Calling
> MPI_Abort!


Can anyone offer any advice?

Thanks for your help,
Brian

-- 
Brian Stankus
Department of Chemistry
Brown University
Providence, RI 02912
Phone: 401-863-3206
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20160606/a2467fa3/attachment.html>