Dechang Li wrote:
Dear gmx-users,
Are there any comparisons of the code speed between Gromacs 3.0 and Gromacs
4.0. In my calculation, I got a speed about 3.5ns/day of a system have about
50,000 atoms, using 8 CPUs with Gromacs 3.3.1. In contrast, the speed can
reach up to 7.3ns/day when switch to Gromacs 4.0.7 while the other conditions
are keep the same. Is this result normal?
I would suggest reading the Gromacs 4 paper. There are lots of benchmarks in
there. Sounds to me like everything is normal.
-Justin
Best regards,
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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