[gmx-users] Ruuning MD simulation on laptop

[Billy Williams-Noonan]

Commonly used gaming cards can accelerate MD simulations quote quickly, but
you'd be wanting to invest about a grand on one. There would also be a
problem with load imbalance then, where the CPUs are struggling to keep up
with the GPUs. So you'd want to have a decent number of decent quality
logical cores running alongside the GPU as well. You'd probably want to
spend at least AU$2000 on the lap top.

Cheers,
Billy

On Tue., 5 Nov. 2019, 5:22 pm Swapnil Bhujbal, <swapnilbhujbal18 at gmail.com>
wrote:

> Dear users,
>
> I'm a Ph.D. student. Usually, I do protein-ligand MD simulation for
> 50-100ns in my lab. So can I use any gaming laptop with a good graphics
> card in it for running the simulation? Would you recommend to install
> Gromacs on a GPU in a laptop?
> Your suggestions are highly appreciated.
> Thank you in advance.
>
> Sincerely,
> Mr. Swapnil Bhujbal
> PhD Scholar,
> School of Medicine,
> Chosun University,
> South Korea.
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