[gpaw-users] Fwd: Error in the test suite.

[Jens Jørgen Mortensen]

On 11/19/2016 02:44 PM, Aleksei via gpaw-users wrote:
>
> Yes, beef.py and revTPSS now is OK, but not TPSS:
>

Thanks for testing.  I can't reproduce this here, but I did find some 
code in GPAW's tpss.c that is similar to the code that was fixed in 
revtpss.py.  Could I ask you to try the latest master that has a fixed 
tpss.c?

     https://gitlab.com/gpaw/gpaw/commit/1aed329f5

Jens Jørgen

>
> (0, 'BLYP')
> (1, 'WC')
> (2, 'HCTH407')
> (3, 'PBE')
> (4, 'PW91')
> (5, 'mBEEF')
> (6, 'LDA')
> (7, 'RPBE')
> (8, 'PBEsol')
> (9, 'revPBE')
> (10, 'AM05')
> (11, 'PBE')
> (12, 'RPBE')
> (13, 'LDA')
> (14, 'revTPSS')
> (15, 'M06-L')
> (16, 'PW91')
> (17, 'revPBE')
> (18, 'TPSS')
> Traceback (most recent call last):
>   File "xc.py", line 83, in <module>
>     equal(error, 0, 6e-9)
>   File 
> "/home/aleksei/.local/lib/python2.7/site-packages/gpaw/test/__init__.py", 
> line 28, in equal
>     raise AssertionError(msg)
> AssertionError: inf != 0 (error: |inf| > 6e-09)
>
>
> Aleksei
>
>