Hi Neha,
Please read through the following page: http://ambermdorg/gpus/ <http://ambermdorg/gpus/>
It should tell you all you need to know.
Short answer is that CPU speed is irrelevant for GPU AMBER - you only need 1 core per GPU. If you have 2 K40s I recommend running 2 independent jobs on each node and allocating 1 K40 and 1 core to each job.
All the best
Ross
> On Nov 8, 2016, at 20:42, Neha Gandhi <n.gandhiau.gmail.com> wrote:
>
> Hi List,
>
> We have two K40 GPUs and 12 CPUs on the same node. I wanted to know how
> many cpus are required to run jobs using parallel cuda version of pmemd
> (i.e two GPUs on the same node)? Is it normal to allocate 1 CPU per 1 GPU
> job?
>
> Many thanks,
> Neha
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Received on Tue Nov 08 2016 - 19:30:02 PST
