Hybrid MPI + Multicore + Cuda build

From: Maxime Boissonneault (maxime.boissonneault_at_calculquebec.ca)
Date: Wed Aug 13 2014 - 11:46:59 CDT

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Hi,
I am managing a GPU cluster. The configuration of the nodes is :
- 8 x K20 per node
- 2 x 10-core sockets per node.

The GPUs are run in exclusive process mode to prevent one user to hijack
the GPU allocated to another user.

I would like to be able to run Namd with Cuda, with 1 MPI rank per GPU
and 2 or 3 threads.

Is it possible to build namd with such hybrid support ? All I see on the
website and documentation is either multicore or mpi, but never both.

Thanks,

-- 
---------------------------------
Maxime Boissonneault
Analyste de calcul - Calcul Québec, Université Laval
Ph. D. en physique

• Next message: Stephan Grein: "H-Bond measurements"
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• Next in thread: Norman Geist: "AW: Hybrid MPI + Multicore + Cuda build"
• Reply: Norman Geist: "AW: Hybrid MPI + Multicore + Cuda build"
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