Re: [gmx-users] Re: slow speed

On Apr 16, 2010, at 1:40 AM, Shuangxing Dai wrote: > I am not running in parallel. Right now I just changed links order from 12 to > 4. It is still slow. While I change to shift, not Ewald, it finished 1 > steps in 10 mins. In the paper: > J Comput Chem. 2005 Dec;26(16):1701-18. > GROMACS:

Re: [gmx-users] Re: slow speed

Justin is correct the benchmark is not necessarily what you want to reproduce or use one of the setups used. Then 1 steps in 10 mn that gets you 10 ps/10 mn, so 10*6*24=1,440 ps/day, depending on your system this might actually be fine. You use SD, I am not sure this will result in the same

Re: [gmx-users] Re: slow speed

Shuangxing Dai wrote: I am not running in parallel. Right now I just changed links order from 12 to 4. It is still slow. While I change to shift, not Ewald, it finished 1 steps in 10 mins. In the paper: J Comput Chem. 2005 Dec;26(16):1701-18. GROMACS: fast, flexible, and free.

[gmx-users] Re: slow speed

I am not running in parallel. Right now I just changed links order from 12 to 4. It is still slow. While I change to shift, not Ewald, it finished 1 steps in 10 mins. In the paper: J Comput Chem. 2005 Dec;26(16):1701-18. GROMACS: fast, flexible, and free.