[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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