I see that you used 3 GPU and 3 MPI as you posted commands on GitHub as
below

command : which relion_refine_mpi --continue
Refine3D/job006/run_it000_optimiser.star --o Refine3D/job008/run
--dont_combine_weights_via_disc --no_parallel_disc_io --preread_images
--pool 3 --pad 1 --particle_diameter 160 --j 12 --gpu "0,1,2"
--pipeline_control Refine3D/job008/

I guess you can use either 2 or all 4 GPUs (No of MPI 3 if using 2 GPU or 5
if using all 4 GPU). I hope this helps!

Best,
Rajiv Ranjan Singh


On Fri, Dec 22, 2023 at 1:31 PM Srivastava, Dhiraj <
dhiraj-srivast...@uiowa.edu> wrote:

> Hi
> I am trying to use relion and I am getting error when trying to use mpi
> (for 3d classification and 3D auto-refine).
>
>
> ERROR: out of memory in
> /home/lvantol/relion5/relion/src/acc/cuda/custom_allocator.cuh at line 436
> (error-code 2)
>
> in: /home/lvantol/relion5/relion/src/acc/cuda/cuda_settings.h, line 65
>
> ERROR:
>
> A GPU-function failed to execute.
>
>
> 2D classification is working fine with significant GPU usage. I tried 3
> different versions (4, 4 beta and 5 beta), one installed by vendor (Exxact)
> and all have the same issue.  I am able to do 3D auto-refine and 3D
> classification on the same data set using our cluster without any problem.
> did anyone encounter a similar issue earlier? How can I fix this problem?
>
>
> Thank you
>
> Dhiraj
>
>
>
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