Dear all,
we are currently planning a new cluster at our universities compute
centre. The big question on our side is, how many and which GPUs we
should put into the nodes.
We have access to a test system with four Tesla K80s per Node. Using one
GPU node we can reach something like 23 ns/day for the ADH system (PME,
cubic) which is pretty much in line with e.g.,
http://exxactcorp.com/index.php/solution/solu_list/84
When trying to use 2 or more GPUs on one node, the performance plunges
to below 10 ns/day no matter how we split the MPI/OMP threads. Has
anybody of you guys access to a comparable hardware setup? We would be
interested in benchmark data answering the question: Does GROMACS-5.1
scales on more than one GPU per node?
Thanks and best wishes,
Jens
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