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Depiction of large structures makes Python crash on Windows #11
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Hi Otto, Thank you for reporting this! On my personal laptop (Mac with M1 chip), PIKAChU (1.0.10) does draw the structure (although admittedly it takes around half a minute):
I've also run the snippet of code you sent, and while it takes some time to run, it does return the drawer object which behaves normally on my end. I appreciate that the performance of the M1 chip is not really comparable with a lot of processors out there, so I will test PIKAChU's performance on a range of other processors to see what happens. I will have some time to work on PIKAChU later in December, and will look at this issue more deeply then. Again, thank you for pointing this out! Kind regards |
Thanks for the quick reply. I am running this on my laptop with an Intel(R) Core(TM) i7-10750H CPU @ 2.60GHz 2.59 GHz processor and 32 GB RAM. I doubt that this is hardware-related, and I have found something that supports this claim: When I run the code snippet above under Windows 11, everything crashes. @Mar-Gol observed the same behaviour under similar conditions. When I run it in my Ubuntu subsystem in the WSL shell, everything works fine. I just ran it remotely on an Ubuntu server, and it also works fine. This seems to be a Windows-specific problem, but I have absolutely no idea what the root of it is. |
Thank you for testing this - I will have a look at what might cause the different behaviours across different operating systems. |
Hi - I can chime in that it works under Ubuntu on a Xeon multicore system. Finally did a quick test on a win10 machine, and yes, it doesn't work there. Doesn't crash my terminal, but the script ends within a few seconds. |
Hey there!
We have run into a problem with the depiction functionalities in PIKAChU. When depicting large molecules, Python simply crashes. We don't get an exception that can be caught or something like that. If I execute the code below in my Python shell, the Python shell simply closes.
Minimal example for the reproduction of the problem:
Expected behaviour:
Observed behaviour:
We will build a workaround and simply not use PIKAChU for large structures in our application, but I think it may make sense to look into this.
Have a nice day!
Otto
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