Hello:

I got a workstation with two GTX590 which have two core for each GPU. I can submit gromacs GPU jobs with command:

mpirun  -np 4 mdrun .....

with such running, I can get 26ns/day for Gromacs-4.6 beta version.

However, I found that for Gromacs-4.6 final version (which is the latest one), it claimed that I only have two GPU, it asked me to adjust -np to 2.

so I submit the jobs with command:

mpirun -np 2 mdrun...

for the same system with the same paramters (of course the tpr file must be regenerated). I found that I can get only half of the speed, something around 10 ns/day.


So I am just wondering what's happening?

thank you very much
best
Albert
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