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

James Starlight jmsstarlight at gmail.com
Mon Jan 14 09:00:49 CET 2013

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
with some bechmarks besides the information present on the Gromacs web

For instance with the gpu Geforce GTX 670 + core i5 (4 cores) I have
performance 10ns\day for explicit system with 67000 atoms ( protein in
tip3p water). Have someone better results with common home-like
desktop? :)


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