[gpaw-users] Several tests fail on gpaw 0.11 installed using pip on Mac OSX El capitan (Rasmus Karlsson)
Jens Jørgen Mortensen
jensj at fysik.dtu.dk
Thu Jun 30 10:43:13 CEST 2016
On 06/29/2016 06:48 PM, Rasmus Karlsson via gpaw-users wrote:
>
> Toma Susi via gpaw-users writes:
>
>> Hi Rasmus,
>>
>> and thanks for testing this out! I'm ashamed to admit I didn't check the
>> tests since I figured my system on this separate user account isn't
>> representative of a clean install anyways.
>>
>> Assertion errors with small excesses over the tolerances are usually not
>> a serious issue, but I can confirm that I reproduce the exact same
>> errors.
>>
>> In addition, I get several failed tests with a locale error:
>>
>> Traceback (most recent call last):
>> File "/usr/local/lib/python2.7/site-packages/gpaw/test/__init__.py",
>> line 584, in run_one
>> exec(compile(open(filename).read(), filename, 'exec'), loc)
>> File "/usr/local/lib/python2.7/site-packages/gpaw/test/ut_tddft.py",
>> line 7, in <module>
>> import matplotlib as mpl
>> File "/usr/local/lib/python2.7/site-packages/matplotlib/__init__.py",
>> line 1131, in <module>
>> rcParams = rc_params()
>> File "/usr/local/lib/python2.7/site-packages/matplotlib/__init__.py",
>> line 975, in rc_params
>> return rc_params_from_file(fname, fail_on_error)
>> File "/usr/local/lib/python2.7/site-packages/matplotlib/__init__.py",
>> line 1100, in rc_params_from_file
>> config_from_file = _rc_params_in_file(fname, fail_on_error)
>> File "/usr/local/lib/python2.7/site-packages/matplotlib/__init__.py",
>> line 1018, in _rc_params_in_file
>> with _open_file_or_url(fname) as fd:
>> File
>> "/usr/local/Cellar/python/2.7.11/Frameworks/Python.framework/Versions/2.7/lib/python2.7/contextlib.py",
>> line 17, in __enter__
>> return self.gen.next()
>> File "/usr/local/lib/python2.7/site-packages/matplotlib/__init__.py",
>> line 1000, in _open_file_or_url
>> encoding = locale.getdefaultlocale()[1]
>> File
>> "/usr/local/Cellar/python/2.7.11/Frameworks/Python.framework/Versions/2.7/lib/python2.7/locale.py",
>> line 543, in getdefaultlocale
>> return _parse_localename(localename)
>> File
>> "/usr/local/Cellar/python/2.7.11/Frameworks/Python.framework/Versions/2.7/lib/python2.7/locale.py",
>> line 475, in _parse_localename
>> raise ValueError, 'unknown locale: %s' % localename
>> ValueError: unknown locale: UTF-8
>>
>> Is there an easy fix for this?
This seems to be a matplotlib problem. Are you able to use matplotlib
at all?
Jens Jørgen
>>
>> -----------
>>
>> Best,
>> Toma
>>
>> P.S. I actually had another remaining issue: some tests were failing due
>> to "ImportError: No module named _ufuncs" error. This was fixed by
>> reinstalling Scipy using the "Superpack" installer created by Chris
>> Fonnesbeck (http://stronginference.com/ScipySuperpack/).
>>
>> This might be good way to streamline the GPAW installation further,
>> since the Superpack also installs Numpy and Matplotlib, and even
>> Homebrew, Git and Xcode Tools if those are not installed yet.
>>
>>
>>
>> Am 29.06.2016 12:00, schrieb gpaw-users-request at listserv.fysik.dtu.dk:
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>>> Today's Topics:
>>>
>>> 1. Several tests fail on gpaw 0.11 installed using pip on Mac
>>> OSX El capitan (Rasmus Karlsson)
>>>
>>>
>>> ----------------------------------------------------------------------
>>>
>>> Message: 1
>>> Date: Tue, 28 Jun 2016 15:29:37 -0700
>>> From: Rasmus Karlsson <rasmusk at kth.se>
>>> To: gpaw-users at listserv.fysik.dtu.dk
>>> Subject: [gpaw-users] Several tests fail on gpaw 0.11 installed using
>>> pip on Mac OSX El capitan
>>> Message-ID: <m2vb0t54mm.fsf at kth.se>
>>> Content-Type: text/plain
>>>
>>> Hi,
>>>
>>> On my freshly installed GPAW 0.11, installed using pip install --user
>>> gpaw, several tests fail. The tests are run using 'gpaw test'.
>>>
>>> The following tests fail:
>>> rasmusk at rasmus-macbook:/tmp/test2$ gpaw test -j 3
>>> python-2.7.11 /usr/local/opt/python/bin/python2.7
>>> gpaw-1.1.0
>>> /Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/
>>> ase-3.11.0 /usr/local/lib/python2.7/site-packages/ase/
>>> numpy-1.11.1 /usr/local/lib/python2.7/site-packages/numpy/
>>> scipy-0.17.1 /usr/local/lib/python2.7/site-packages/scipy/
>>> _gpaw
>>> /Users/rasmusk/Library/Python/2.7/lib/python/site-packages/_gpaw.so
>>> parallel /Users/rasmusk/Library/Python/2.7/bin/gpaw-python
>>> FFTW no
>>> scalapack no
>>> libvdwxc no
>>> PAW-datasets 1: /Users/rasmusk/gpaw-setups/gpaw-setups-0.9.11271
>>> 2: /usr/local/share/gpaw-setups
>>> 3: /usr/share/gpaw-setups
>>> Running tests in
>>> /var/folders/23/3tv2l9s565v7pf_vzpczl6c80000gn/T/gpaw-test-bPH2Bb
>>> Jobs: 3, Cores: 1, debug-mode: False
>>> =============================================================================
>>>
>>> solvation/vacuum.py 5.470 FAILED!
>>> #############################################################################
>>> Traceback (most recent call last):
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 577, in run_one
>>> exec(compile(open(filename).read(), filename, 'exec'), loc)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/solvation/vacuum.py",
>>> line 62, in <module>
>>> equal(Etest, Eref, dE)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 28, in equal
>>> raise AssertionError(msg)
>>> AssertionError: -11.9838020445 != -11.9837925246 (error:
>>> |-9.51991932929e-06| > 1e-09)
>>> #############################################################################
>>>
>>> inducedfield_lrtddft.py 7.839 FAILED!
>>> #############################################################################
>>> Traceback (most recent call last):
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 577, in run_one
>>> exec(compile(open(filename).read(), filename, 'exec'), loc)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/inducedfield_lrtddft.py",
>>> line 48, in <module>
>>> equal(val1, 3175.76308, tol)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 28, in equal
>>> raise AssertionError(msg)
>>> AssertionError: 3175.76177698 != 3175.76308 (error:
>>> |-0.00130302261596| > 0.0001)
>>> #############################################################################
>>>
>>> fdtd/ed_wrapper.py 23.614 FAILED!
>>> #############################################################################
>>> Traceback (most recent call last):
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 577, in run_one
>>> exec(compile(open(filename).read(), filename, 'exec'), loc)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/fdtd/ed_wrapper.py",
>>> line 43, in <module>
>>>
>>> equal(qsfdtd.td_calc.hamiltonian.poisson.get_quantum_dipole_moment(),
>>> ref_qm_dipole_moment, tol)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 28, in equal
>>> raise AssertionError(msg)
>>> AssertionError: [ 2.87661347e-10 1.99335501e-10 -9.35618521e-02]
>>> != [-2.63340461e-11, 2.61812794e-12, 0.521368171] (error: |[
>>> 3.13995393e-10 1.96717373e-10 -6.14930023e-01]| > 0.0001)
>>> #############################################################################
>>>
>>> fdtd/ed.py 23.509 FAILED!
>>> #############################################################################
>>> Traceback (most recent call last):
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 577, in run_one
>>> exec(compile(open(filename).read(), filename, 'exec'), loc)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/fdtd/ed.py",
>>> line 83, in <module>
>>> equal(td_calc2.hamiltonian.poisson.get_quantum_dipole_moment(),
>>> ref_qm_dipole_moment, tol)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 28, in equal
>>> raise AssertionError(msg)
>>> AssertionError: [ 1.16182518e-09 -6.61938227e-11 -9.35619379e-02]
>>> != [-2.63340461e-11, 2.61812794e-12, 0.521368171] (error: |[
>>> 1.18815922e-09 -6.88119506e-11 -6.14930109e-01]| > 0.0001)
>>> #############################################################################
>>>
>>> complex.py 6.133 FAILED!
>>> #############################################################################
>>> Traceback (most recent call last):
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 577, in run_one
>>> exec(compile(open(filename).read(), filename, 'exec'), loc)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/complex.py",
>>> line 23, in <module>
>>> equal(Eini, Eini0, 1E-8)
>>> File
>>> "/Users/rasmusk/Library/Python/2.7/lib/python/site-packages/gpaw/test/__init__.py",
>>> line 28, in equal
>>> raise AssertionError(msg)
>>> AssertionError: -17.8037677573 != -17.8037610364 (error:
>>> |-6.72086014575e-06| > 1e-08)
>>> #############################################################################
>>>
>>> Does anyone have any suggestions for what might fix these errors?
>>>
>>> Thanks,
>>> Rasmus
>>> --
>>> Rasmus Karlsson, PhD
>>>
>>>
>>> ------------------------------
>>>
>>> _______________________________________________
>>> gpaw-users mailing list
>>> gpaw-users at listserv.fysik.dtu.dk
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>>>
>>> End of gpaw-users Digest, Vol 77, Issue 27
>>> ******************************************
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