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Multi-GPU support in ESPResSo
From: |
Jean-Noël Grad |
Subject: |
Multi-GPU support in ESPResSo |
Date: |
Tue, 12 Nov 2024 17:51:37 +0100 |
User-agent: |
Mozilla Thunderbird |
Dear users,
We are happy to announce the development version of ESPResSo on the
python branch is now able to leverage multiple GPUs in LB simulations.
This is achieved by pinning each MPI rank to a specific GPU device id.
The exact syntax is described in the user guide:
https://espressomd.github.io/doc/lb.html#choosing-between-the-gpu-and-cpu-implementations
This is a major step forward for ESPResSo and our LB users! Some details
still require ironing out, for example the list of CUDA devices reported
by `system.cuda_init_handle.list_devices()` doesn't always reflect the
true number of GPU devices when using more than 1 node in slurm, but the
feature is mature enough to be used in production.
Best regards,
Jean-Noël Grad
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