[gmx-users] GPU Accelerated MD in Gromacs

[Deva Priya]

The easiest way to check this for your system is to run short 100 ps
simulations using the 3 combinations you have listed. Check the performance
section at the end of log file.



On Fri, Oct 23, 2015 at 5:11 AM, Nikhil Maroli <scinikhil at gmail.com> wrote:

> Dear all,
> i have 2 x Intel® E5-2650V2 Processor (8Core,2.6GHz,20M L3 Cache) (32
> Threads) and One Tesla K20 GPU
> which option will be faster for Gromacs
>
> 1. CPU alone
> 2.CPU+GPU
> 3.GPU+CPU(by assigning lower threads)
>
> i read somewhere if we give GPU+CPU it will slow down in case of particular
> GPU ,so which is best option for me here? ()
>
> Thanks in advance
>
> PS:My benchmark in YASARA shows 29 out of 32 thread without GPU Runs
> faster.
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