Hi Omar,
ChimeraX itself only uses the GPU for graphics and does not use CUDA. You can see what graphics driver ChimeraX is using with the ChimeraX command (typed in the ChimeraX command-line)
graphics driver
On my Mac it reports in the log.
OpenGL version: 4.1 Metal - 88 OpenGL renderer: Apple M2 Ultra OpenGL vendor: Apple
For you on LInux with Nvidia GPU it should save Nvidia.
Where did you get the DeepSSETracer ChimeraX distribution? I see the publication
https://www.frontiersin.org/articles/10.3389/fbinf.2021.710119/full
but don't see any way to get the ChimeraX wheel file. It was developed in Jing He's lab at Old Dominion University where you appear to be, and you could probably get the best help on how to enable CUDA from her lab. If it uses PyTorch then you probably want to look into what goes wrong with PyTorch finding CUDA.
Tom
On Jan 30, 2024, at 12:15 PM, Sharif, Omar via ChimeraX-users chimerax-users@cgl.ucsf.edu wrote:
Hello, I am using Chimerax with a tool called DeepSSETracer, a model that performs segmentation on the secondary structure of 3d cryo density maps. I need GPUs and CUDA enabled to test the tool. When I run the model, I have a message in the log that says Cuda is not available although I am running on a machine where relevant Nvidia GPU drivers and Cuda are already installed and working properly. I am attaching the screenshot <image.png> Is there any way to enable GPU usage within the ChimeraX? Is there any way to check if ChimeraX is using GPU and CUDA? I will be waiting for your reply. Thanks in advance, Omar
Omar Sharif Ph.D. student Department of Computer Science Old Dominion University Email: osharif@cs.odu.edu mailto:osharif@cs.odu.edu https://odu.zoom.us/my/omarsharif786
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