With 4 GPUs I would try 4 MPI ranks, npool=4 (and maybe 4 OpenMP
threads). The second error message means that you are out of memory
(memory is only partially distributed with pools, that is, k-point
parallelization). The first one, no idea
PAolo
On 11/11/2022 16:32, Christopher Moltisanti wrote:
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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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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
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