From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue Oct 29 2013 - 04:46:23 CDT
>
> 5. **You can of course run one simulation using all the cores and
> both GPUs simultanously, what is the best scenario here IMHO.
That depends strongly on the system size (and hardware configuration). For
small systems (~50k atoms) it might be advantageous to run parallel
simulations on each GPU card (while not oversubscribing the CPU). I usually
just run some benchmarks before starting long simulations...
I completely agree with points 1-4 however:)
Best regards,
Ajasja
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