[gmx-users] problems for GPU simulations
mailmd2011 at gmail.com
Thu Feb 7 10:16:37 CET 2013
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
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