Hi Alan,
The MMTK toolkit, which Chimera uses for MD calculations, does not support GPU acceleration.  However, it does allow the use of multiple CPUs, which most modern machines have.  To use multiple CPUs go to the Molecular Dynamics Simulation “Run Parameters” tab and change “Settings” to “other runtime options” and check the “Use multiple CPUs” box.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab


On May 4, 2023, at 8:48 AM, Alan Carbajo via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:

Good morning,

I'm running a molecular dynamics simulation in Chimera, and it seems that the program is only using my cpu for the calculations. Why is this? Is it possible to switch it to use my GPU? 

Thank you,

Alan 
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