[gmx-users] SIMD: SSE2 or AVX2_256?

[Benson Muite]

Hi,

Not a necessity, but might speed up your simulations. If simulation time 
is significant, it may help to measure it yourself. However, if most of 
the work is done on a GPU, it will not make too much difference.

Benson

On 8/6/19 5:57 PM, Neena Susan Eappen wrote:
> Hello gromacs users,
>
> I got the following message when I was running grompp command:
>
> -----Compiled SIMD: SSE2, but for this host/run AVX2_256 might be better (see log).
> The current CPU can measure timings more accurately than the code in gmx mdrun was configured to use. This might affect your simulation speed as accurate timings are needed for load-balancing.
> Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option.-------
>
> I was wondering is this a necessity?
>
> Thank you,
> Neena