[gmx-users] Gromacs 2018b1: Computing PME on GPUs

Alex nedomacho at gmail.com
Mon Dec 11 07:30:36 CET 2017

Sorry, I am unable to respond to your question, but could you please 
comment on performance difference with and without PME on GPU?



On 12/10/2017 10:28 PM, Jernej Zidar wrote:
> Hi,
> I’ve been testing the first beta of the upcoming Gromacs 2018, where one of
> the main features is the ability to run compute PME on GPUs. I tried it and
> it runs well.
> My question is: Would it make sense to get a bitcoin mining rig (4,5 Nvidia
> cards, slow CPU) to run simulations in place of the typical dual Xeon
> workstation with CUDA cards?
> Thanks!
> Jernej

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