[ase-users] fio/oi.py test fail

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Tue Aug 16 15:48:02 CEST 2016


On 07/17/2016 05:36 AM, 刘晓彤 via ase-users wrote:
> hi, all
>
> I installed ase_3_11 without error. Before it, I also installed 
> matlibplot successfully with all its dependencies such as libpng, 
> freetype, etc. But when I run testcase, an error occurred:
>
> ======================================================================
>
> ERROR: fio/oi.py
>
> ----------------------------------------------------------------------
>
> Traceback (most recent call last):
>
>   File "/export/home/liuxiaotong/packages/ase/ase/test/__init__.py", 
> line 53, in testfile
>
>     {'display': self.display})
>
>   File "/export/home/liuxiaotong/packages/ase/ase/test/fio/oi.py", 
> line 90, in <module>
>
>     write(fname1, atoms, format=format)
>
>   File "/export/home/liuxiaotong/packages/ase/ase/io/formats.py", line 
> 252, in write
>
>     io.write(fd, images, **kwargs)
>
>   File "/export/home/liuxiaotong/packages/ase/ase/io/png.py", line 46, 
> in write_png
>
>     PNG(atoms, **parameters).write(filename)
>
>   File "/export/home/liuxiaotong/packages/ase/ase/io/eps.py", line 
> 140, in write
>
>     self.write_trailer()
>
>   File "/export/home/liuxiaotong/packages/ase/ase/io/png.py", line 38, 
> in write_trailer
>
>     _png.write_png(x, self.w, self.h, self.filename, 72)
>
> ValueError: Expected 3-dimensional array, got 1
>
>
> ----------------------------------------------------------------------
>
> Ran 138 tests in 56.466s
>
>
> FAILED (errors=1)
>
>
> Could you please tell me what's wrong about it? and will it influence 
> generating .traj file or other file?

Trajectory files (.traj) should be fine.  If you want help fixing 
writing of png-files then you should send us the complete output from 
your test run.  It's most likely a too old version of numpy or matplotlib.

Jens Jørgen

>
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>
>
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