[AMBER] issue using CUDA+MPI+OpenMP

From: Éric Germaneau <germaneau.sjtu.edu.cn>
Date: Wed, 08 Jul 2015 14:12:45 +0800

Dear all,

I'm helping a user running Amber on our machine.
I basically compiled it doing

    ./configure -intelmpi -mkl -cuda -openmp intel

We have two 8-cores CPU and two GPU per node, we use LSF as job scheduler.
I submit a 2 MPI process per node job.
Each of the process takes care of one GPU as expected, however only one
threads per MPI process is used (even if I set OMP_NUM_THREADS).
Is there a way to perform a multi-threading job using MPI and CUDA?
Thank you,

                                  Éric.

-- 
Éric Germaneau (艾海克), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
Email:germaneau.sjtu.edu.cn Mobi:+86-136-4161-6480 http://hpc.sjtu.edu.cn
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Received on Tue Jul 07 2015 - 23:30:02 PDT
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