[gpaw-users] TypeError after upgrade to GPAW 1.0.0

[Stankus, Brian]

Thank you! Yes, I attach the little test script I was using.

Best,
Brian

On Thu, Jun 16, 2016 at 11:41 AM, Morten Niklas Gjerding <mogje at fysik.dtu.dk
> wrote:

> Dear Brian.
>
> Can you provide a small test script that I can run to see if I can
> reproduce the error?
>
> KR. Morten
> ------------------------------
> *From:* gpaw-users-bounces at listserv.fysik.dtu.dk [
> gpaw-users-bounces at listserv.fysik.dtu.dk] on behalf of Stankus, Brian via
> gpaw-users [gpaw-users at listserv.fysik.dtu.dk]
> *Sent:* Thursday, June 16, 2016 5:11 PM
> *To:* gpaw-users at listserv.fysik.dtu.dk
> *Subject:* [gpaw-users] TypeError after upgrade to GPAW 1.0.0
>
> Hi All,
>
> I sent out a call for help a couple of weeks ago, but didn't receive any
> replies, so I figured I'd give it one more try!
>
> 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
>
>


-- 
Brian Stankus
Department of Chemistry
Brown University
Providence, RI 02912
Phone: 401-863-3206
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