[gmx-users] GTX 1070 Performance

[Nikhil Maroli]

Thank you very much Mark,

My system consists of total 91490 atoms.
I have tried the different combinations of threads for GPU and I got the
best performance for below combinations.

58ns/day with 2 GPU


gmx mdrun -v -ntmpi 4 -ntomp 12 -deffnm md_0_1 -gpu_id 0022

with 3 GPU card, 61ns/day

gmx mdrun -v -ntmpi 6 -ntomp 8 -deffnm md_0_1 -gpu_id 002233

I have attached the both log file.

So this is the best I can achieve or am i missing something. ?

2 GPU log file

https://goo.gl/23k0Bg

3GPU log file

https://goo.gl/3svtjF