[gmx-users] thread-MPI compatibility requirement?

Jost, Gabriele (ARC-TNC)[Supersmith] gabriele.jost at nasa.gov
Wed Aug 15 19:50:38 CEST 2018


Hello,
I would like to install GROMACS on a cluster of Volta nodes. I have
openmpi_3.1.1
and
pgi_openmpi_2.1.2

available. For of them I get the message

-- MPI is not compatible with thread-MPI. Disabling thread-MPI.

However, I really would like to have this to take advantage of all 8 GPUs

Have any of you encountered this problem?

Thanks for your advice,
Gabriele



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