[AMBER] 8 GPU single pmemd run with amber 16?

From: Chris Neale <candrewn.gmail.com>
Date: Mon, 6 Feb 2017 13:31:12 -0700

Dear Users:

We would like to build a node with 8 Pascal GTX-1080 GPUs capable of
running peer-to-peer for a single job (pmemd) utilizing all 8 GPUs. I see
an Exxact stystem linked on the amber homepage:
https://exxactcorp.com/index.php/solution/solu_detail/207 but I am not
entirely clear whether "Supports up to 8x Double Width GPUs" implies 8-way
peer-to-peer GPU communication.

We have already one node with 8 GPUs but it is arranged as 2x4 such that a
single job can only use 4 GPUs efficiently and I am not sure if there are
yet motherboards that can handle 8-way GPU runs (or if they are yet
somewhat economical).

Also, were such a machine available, will the same pmemd code that runs
well on 4 GPUs also run well on 8 GPUs or would code changes be required?

Thank you for your help,
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Received on Mon Feb 06 2017 - 13:00:02 PST
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