[QE-users] CUDA errors

Christopher Moltisanti crist.moltisanti at gmail.com
Fri Nov 11 16:32:21 CET 2022


Hello QE users,

I am quite new to QE and I have been experimenting with different runtime
configurations on GPUs. In particular, I am running the TA2O5 input (26
k-points). Depending on the number of MPI ranks and/or npool values I am
getting different runtime errors. To name a few, the most frequent ones I
get are:

1) *Configuration: *16 MPI ranks, 4MPI ranks/node, 4GPUs/node, npool=1
    *Error: *
Error in routine fft_scatter_many_columns_to_planes_store (1):
cudaMemcpy2DAsync failed

2)* Configuration:* 16 MPI ranks, 4MPI ranks/node, 4GPUs/node, npool=16
*   Error:*
Dense  grid:  3645397 G-vectors     FFT dimensions: ( 200, 180, 216)
0: ALLOCATE: 11202625536 bytes requested; status = 2(out of memory)

Could you please help me to understand what is going on?

Regards
Chris
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