[ase-users] Error in test after ASE installation.

[Jens Jørgen Mortensen]

On Tue, 2008-09-02 at 17:31 +0100, Adolfo Fuentes wrote:
> Hello Community. Today I downloaded ASE via svn and installed it in my
> laptop. It is an ACER TravelMate 4020 Series (4021WLMi) [Intel Pentium M
> Processor 725 @ 1.6 GHz, 400 MHz FSB, 2 MB L2 cache] with Ubuntu 7.04.
> Everything went fine while running the setup.py file under Python2.5,
> 
> ]$ sudo python setup.py install
> 
> but while running the ./tools/testase.py file in the ./ase/test
> directory I got at least two bugs:
> 
> The first problem is basically that when it arrives at the emt1.py
> script it seems it gets into an infinite loop, and I have to press CTRL
> +C to pass on the next script.

Could you try to run the emt1.py test directly:

 $ python emt1.py

Do you still get an infinite loop?  Could you send us some of the
output.

>  The second problem is that after running
> the last script (COCu111.py) I get the correct values, but the system
> does not return to the shell after plotting the graphics in RASMOL. Do
> you know anything about this??

Yes, this is the way it should be - just close the window, and the test
will finish.  Use:

 $ testase.py --no-display

to avoid the graphical windows.

Actually, the windows that pop up are not from RASMOL - the are from
ASE's own simple graphical user interface:

https://wiki.fysik.dtu.dk/ase/ase/gui.html

Jens Jørgen

>  (My question seems quite naive. I append
> the shell output.)
> 
> ]$ ./testase.py 
> Ag-Cu100.py (ScriptTestCase) ... ok
> asap.py (ScriptTestCase) ... ok
> atom.py (ScriptTestCase) ... ok
> build.py (ScriptTestCase) ... ok
> coverage.py (ScriptTestCase) ... ok
> dimer.py (ScriptTestCase) ... ok
> emt.py (ScriptTestCase) ... ok
> emt1.py (ScriptTestCase) ... ERROR
> example.py (ScriptTestCase) ... ok
> h2.py (ScriptTestCase) ... ok
> io.py (ScriptTestCase) ... ok
> langevin.py (ScriptTestCase) ... ok
> md.py (ScriptTestCase) ... ok
> n2.py (ScriptTestCase) ... ok
> neb.py (ScriptTestCase) ... ok
> neighbor.py (ScriptTestCase) ... ok
> pull.py (ScriptTestCase) ... ok
> rotate.py (ScriptTestCase) ... ok
> stm.py (ScriptTestCase) ... ok
> strain.py (ScriptTestCase) ... ok
> things.py (ScriptTestCase) ... ok
> trajectory.py (ScriptTestCase) ... ok
> vacancy.py (ScriptTestCase) ... ok
> verlet.py (ScriptTestCase) ... ok
> vib.py (ScriptTestCase) ... ok
> COCu111.py (ScriptTestCase) ... 
> FAIL
> 
> ======================================================================
> ERROR: emt1.py (ScriptTestCase)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
>   File "/usr/lib/python2.5/site-packages/ase/test/__init__.py", line 16,
> in testfile
>     raise RuntimeError('Keyboard interrupt')
> RuntimeError: Keyboard interrupt
> 
> ======================================================================
> FAIL: COCu111.py (ScriptTestCase)
> ----------------------------------------------------------------------
> Traceback (most recent call last):
>   File "/usr/lib/python2.5/site-packages/ase/test/__init__.py", line 14,
> in testfile
>     execfile(self.filename, {'display': self.display})
>   File "/usr/lib/python2.5/site-packages/ase/test/COCu111.py", line 74,
> in <module>
>     assert error == 0
> AssertionError
> 
> ----------------------------------------------------------------------
> Ran 26 tests in 2083.894s
> 
> FAILED (failures=1, errors=1)
> 
> Many thanks! Adolfo
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