[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 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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