[ase-users] ASE-3.10.0 Graphs problem

[Alexander Romanov]

Yes, I have a list of energies. But when I try to monitor optimization
curve I have no graph both from command line or GUI

Best regards,
Alex

2016-03-30 11:01 GMT+03:00 Jens Jørgen Mortensen <jensj at fysik.dtu.dk>:

> 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>:
>
>> 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
>>
>>
>> _______________________________________________
>> ase-users mailing listase-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>
>>
>>
>
>
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