[Chimera-users] Allocating GPUs

Tom Goddard goddard at sonic.net
Wed May 18 11:20:18 PDT 2022

Hi Giono,

  Chimera uses the GPUs for rendering graphics on your Mac M1 machine.  You can see this if you use Chimera menu Help / Report a Bug..., it will tell you the graphics in use, on my machine,

OpenGL Vendor: Apple
OpenGL Renderer: Apple M1 Max
OpenGL Version: 2.1 Metal - 76.3

  Maybe you mean you want Chimera to do non-graphics operations as Dylan suggested using the GPU.  That requires code written specifically for the GPU, usually such code is only written for Nvidia GPUs using the CUDA library (Mac M1 does not support CUDA) and I don't think any Chimera code uses the GPU.  The newer ChimeraX program uses the GPU for molecular dynamics calculations (tug mouse mode and ISOLDE cryoEM refinement tool).


> On May 18, 2022, at 7:22 AM, Dylan Ramir via Chimera-users <chimera-users at cgl.ucsf.edu> wrote:
> Hello Giono,
> I am not part of Chimera's team, though I have work with it in the past. From my experience I belive it is possible yet difficult to do. If I was tackling this problem I would start with a CUDA tool kit first or openCl. It make take some C knowledge to get the objects to interact nicely. I would also verify the accuracy of you GPU model via running a CPU module of the same object, if when you blast them together you get an identical structure ie. High alignment score you should be able to validate the accuracy of your gpu ran structure and start scale up from there. 
> Hope this is helpful or leads you down the right path! I'd be intrested to hear what you find.
> Thank you, 
> Dylan Ramirez 
> https://www.linkedin.com/in/dylan-ramirez-81056b97 <https://www.linkedin.com/in/dylan-ramirez-81056b97>
> On Wed, May 18, 2022, 7:33 AM Giono Matteo (PSI) via Chimera-users <chimera-users at cgl.ucsf.edu <mailto:chimera-users at cgl.ucsf.edu>> wrote:
> Dear all, 
> Does anyone know if it’s possible to make Chimera use GPUs instead of CPUs? I have a 2021 Macbook Pro with 12-core GPUs and knowing that all the work is done by the CPU make all these GPUs kind of useless. 
> Best, 
> MG
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