Re: [gmx-users] On the choosing of GPU for MD runs

Hi, Typically, the fastest the GPU the better. On a more detailed level, less multiprocessors (that's not "cores"!) with faster clock speeds help in achieving higher performance with small systems. As GPUs are highly parallel processors, 20-30k atoms/GPU can be considered small-ish - especially wi

[gmx-users] On the choosing of GPU for MD runs

Dear Gromacs Users! I wounder to know some detailes about choosing of the gpu for md with gromacs. In particular on what properties of the videoadapter should I pay most attention ? What modern gpu nvidia-series might give best performance (gtx 6xx, tesla or quadro series) ? Could you provide me