[ase-users] ase test error message
Hoje Chun
hoje.chun316 at gmail.com
Thu Feb 1 07:37:53 CET 2018
*This ASE developer,*
*I recently downloaded ASE in my linux, and ran the test as described in
the webpage.*
*But, I have gotten following error message.*
platform Linux-4.13.0-32-generic-x86_64-with-Ubuntu-16.04-xenial
python-2.7.12 /usr/bin/python
ase-3.15.0 /usr/local/lib/python2.7/dist-packages/ase/
numpy-1.14.0 /usr/local/lib/python2.7/dist-packages/numpy/
scipy-1.0.0 /usr/local/lib/python2.7/dist-packages/scipy/
test-dir /tmp/ase-test-_ObMrI
............................s.....E.................ss............s......s..............s..................s.sss.....s.....ssssssssss......s....ssssss..ss..s/usr/local/lib/python2.7/dist-packages/ase/io/dmol.py:78:
FutureWarning: `rcond` parameter will change to the default of machine
precision times ``max(M, N)`` where M and N are the input matrix dimensions.
To use the future default and silence this warning we advise to pass
`rcond=None`, to keep using the old, explicitly pass `rcond=-1`.
lstsq_fit = np.linalg.lstsq(atoms.cell, new_cell)
/usr/local/lib/python2.7/dist-packages/ase/calculators/dmol.py:528:
FutureWarning: `rcond` parameter will change to the default of machine
precision times ``max(M, N)`` where M and N are the input matrix dimensions.
To use the future default and silence this warning we advise to pass
`rcond=None`, to keep using the old, explicitly pass `rcond=-1`.
lstsq_fit = np.linalg.lstsq(A, B)
/usr/local/lib/python2.7/dist-packages/ase/io/dmol.py:226: FutureWarning:
`rcond` parameter will change to the default of machine precision times
``max(M, N)`` where M and N are the input matrix dimensions.
To use the future default and silence this warning we advise to pass
`rcond=None`, to keep using the old, explicitly pass `rcond=-1`.
lstsq_fit = np.linalg.lstsq(atoms.cell, new_cell)
......ss............s............ssssssss.ssss.ssssssssssssssss
======================================================================
ERROR: doctests.py
----------------------------------------------------------------------
Traceback (most recent call last):
File "/usr/local/lib/python2.7/dist-packages/ase/test/__init__.py", line
50, in testfile
exec(compile(fd.read(), self.filename, 'exec'), {})
File "/usr/local/lib/python2.7/dist-packages/ase/test/doctests.py", line
26, in <module>
print(mod, doctest.testmod(mod, raise_on_error=True))
File "/usr/lib/python2.7/doctest.py", line 1911, in testmod
runner.run(test)
File "/usr/lib/python2.7/doctest.py", line 1799, in run
r = DocTestRunner.run(self, test, compileflags, out, False)
File "/usr/lib/python2.7/doctest.py", line 1454, in run
return self.__run(test, compileflags, out)
File "/usr/lib/python2.7/doctest.py", line 1363, in __run
self.report_failure(out, test, example, got)
File "/usr/lib/python2.7/doctest.py", line 1808, in report_failure
raise DocTestFailure(test, example, got)
DocTestFailure: <DocTest ase.spacegroup.spacegroup.Spacegroup from
/usr/local/lib/python2.7/dist-packages/ase/spacegroup/spacegroup.py:49 (6
examples)>
----------------------------------------------------------------------
Ran 220 tests in 104.175s
FAILED (errors=1, skipped=62)
*Any HELP?*
*Sincerely,*
*Hoje Chun*
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