[ase-users] There is one error while running the command ase test

Anant Ojha anandojha002 at gmail.com
Wed Jan 17 12:39:54 CET 2018


Dear authority,


I have just installed ASE and there is one error while running the command
ase test. Please help me. I have sent you the entire command and the error.


anandojha002 at anand:~$ ase test
platform        Linux-4.4.0-104-generic-x86_64-with-Ubuntu-16.04-xenial
python-2.7.12   /usr/bin/python
ase-3.15.0      /home/anandojha002/ase/ase/
numpy-1.14.0    /home/anandojha002/.local/lib/python2.7/site-packages/numpy/
scipy-1.0.0     /home/anandojha002/.local/lib/python2.7/site-packages/scipy/
test-dir        /tmp/ase-test-QzS1J1

...........................s.....E.................ss............s......s..............s..................s.sss.....s.....ssssssssss......s....ssssss..ss..s/home/anandojha002/ase/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)
/home/anandojha002/ase/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)
/home/anandojha002/ase/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............sssss..s.ssss.ssssssssssssssss
======================================================================
ERROR: doctests.py
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/anandojha002/ase/ase/test/__init__.py", line 50, in testfile
    exec(compile(fd.read(), self.filename, 'exec'), {})
  File "/home/anandojha002/ase/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
/home/anandojha002/ase/ase/spacegroup/spacegroup.py:49 (6 examples)>

----------------------------------------------------------------------
Ran 219 tests in 99.196s

FAILED (errors=1, skipped=60)

-- 
WIth regards,


*A. Anand Ojha, *
*ETH-Zurich.*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20180117/f05651e6/attachment.html>


More information about the ase-users mailing list