VMD-L Mailing List
From: Mikkel Dahl Andreasen (mda_at_chem.au.dk)
Date: Fri Jun 27 2025 - 01:36:23 CDT
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Hello
I noticed that when using the 2.0.0a4 version of VMD that it fails to clean up memory after deleting frames/molecules causing quite severe memory leakage.
When I load a trajectory containing about 20 GB of data spread over 10000 frames then VMD reserves about 20 GB of memory on my computer as expected. However, if I then delete either some of the frames or the entire molecule entry, no memory is freed up. The only way I have found to free up the memory is to completely shut down VMD. Have others experienced this issue and is the problem known by the developers?
If it helps, then I am running VMD on Ubuntu Linux.
Cheers, Mikkel
Mikkel Dahl Andreasen
PhD student
Department of Chemistry
Aarhus University
Langelandsgade 140
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