[gmx-users] Workstation choice

Benson Muite benson.muite at ut.ee
Wed Sep 5 15:53:18 CEST 2018

Hi Olga,

The authors of:



May be helpful. If your data is not confidential, you may consider 
running Gromacs remotely on a cloud high performance computing resource, 
or benchmarking remotely and then purchasing a suitable configuration.

Some other information:

On 09/05/2018 12:02 PM, Olga Selyutina wrote:
>   Hello,
> I need help in choice of the workstation for MD simulations using GROMACS.
> It is supposed to study systems consisting from 30-50k atoms, in
> particular, lipid bilayer models. Since the last generation of Intel and
> Ryzen CPU has made a big leap in performance, available workstation can’t
> be taken as a basis. Please, help to choose components of the workstation,
> particularly, GPU and CPU with total cost about $2000. What is better, to
> buy two GPUs(sli) or one GPU but more effective?

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