[gmx-users] About the configuration of Gromacs on multiple nodes with GPU

崔学文 hp376619815 at gmail.com
Sat Mar 30 10:19:49 CET 2013


 I'm running Gromacs 4.6.1 on 2 nodes with 3 GPUs(2 on host1,1 on host2,
all nvidia K20c), and I'm using openMPI 1.6.4 to let Gromacs run parallel
on 2 nodes. However, I found that Gromacs can only find the GPUs on the
local node which it's launched, it can't automatically use the GPUs on the
other node.
 I've been wondering whether current version of Gromacs support such kind
of configuration(multiple GPUs on multiple nodes). Could you please give me
some advice on how to fix this problem?

  With many thanks.



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