[ase-users] ASE-3.10.0 Graphs problem

[Jens Jørgen Mortensen]

On 03/30/2016 09:29 AM, Alexander Romanov wrote:
> Hi, Jens.
>
> I've attached two trajectory files: one for ase-3.9.1/gpaw-0.11.0 and 
> another for ase-3.10.0/gpaw-1.0.0.
>
> But! It seems to me that it's not a source of the problem. I do 
> absolutely the same calculation
> with both ase-3.9.1/gpaw-0.11.0 and ase-3.10.0/gpaw-1.0.0 and can open 
> two trajectory files
> with ase-3.9.1 and cann't do it with ase-3.10.0.
>
> I think that my problem is in matplotlib or another package. I have no 
> window for 2D plot and cann't
> do for example bulk modulus calculations. It looks like an ase-3.10.0 
> has differences in connection
> to plot packages

Yes, plotting did change between 3.9 and 3.10.  Matplotlib is now 
started in a separate sub-process.  Take a look here:

     https://gitlab.com/ase/ase/blob/master/ase/gui/graphs.py#L78

You could try to put some print statements in this file (see also the 
make_plot() function).

What do you get if you do:

     $ ase-gui -t -g e Cu_lattice_constant_gpaw_0.11.0.traj

Do you get a list of energies?

Jens Jørgen
>
> Best regards,
> Alex
>
> 2016-03-29 10:36 GMT+03:00 Jens Jørgen Mortensen <jensj at fysik.dtu.dk 
> <mailto:jensj at fysik.dtu.dk>>:
>
>     On 03/23/2016 09:58 AM, Alexander Romanov wrote:
>>     Dear ASE users,
>>
>>     I've had manual installation of ase-3.10.0 and met some problem
>>     with Graph tool.
>>
>>     When I make a command:
>>
>>     ase-gui file_name.traj
>
>     Can you attach the trajectory file you have?
>
>     Jens Jørgen
>
>>
>>     I get three windows including Graphs, but without content: only
>>     buttons and no optimization curve.
>>     Previously I used ase-3.9.1 with just the same installation
>>     method and had no problems at all. It works fine now if I change
>>     environment variables.
>>
>>     I've tried to use setup.py script and got no result.
>>
>>     Best regards,
>>     Alex
>>
>>
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>
>

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