[QE-developers] QE GPU test results

[Pietro Davide Delugas]

It should be possible,
If the test is supersmall, it can be a little bit difficult though.
For small test with not a big number of plane waves and bands, one needs to use as much pools as possible.
But  program need to run with 1 MPI rank per GPU, it is possible to superscribe the GPUs, but you need to have nvidia MPS on the node for this to be efficient.


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From: Małgorzata Wierzbowska<mailto:malwi45 at gmail.com>
Sent: Wednesday, June 21, 2023 10:00 AM
To: developers at lists.quantum-espresso.org<mailto:developers at lists.quantum-espresso.org>
Subject: [QE-developers] QE GPU test results


 Dear QE Team,

we tested v.7.2 on Athena computer with GPU
https://www.cyfronet.pl/en/19073,artykul,athena.html

The simple case for nscf with large kmesh that runs 37 min at 96 cpu on Ares
https://www.cyfronet.pl/en/computers/18827,artykul,ares_supercomputer.html

gives the following results on Athena:

1-1-1-1: PWSCF : 1h 6m CPU 1h13m WALL

1-2-1-2: PWSCF : 1h 3m CPU 1h 8m WALL

1-4-1-4: PWSCF : 1h 1m CPU 1h 6m WALL

1-8-1-8: PWSCF : 1h12m CPU 1h17m WALL

Where the configurations  1-2-3-4 mean:
1 node 2 tasks (processes MPI), 3 cpus-per-task, 4 cards GPGPU

Is it possible to get it better?

With best regards,
Malgorzata

dr hab. Malgorzata Wierzbowska, prof. IHPP PAS

Institute of High Pressure Physics (Unipress)

Polish Academy of Sciences

Sokolowska 29/37, 01-142 Warsaw, Poland

email: malwi45 at gmail.com<mailto:malwi at gmail.com>

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