Hi Paul, On 14.01.2019 02:48, pbuscemi wrote: > Here are the results for three runs of the million atoms DPPC > ===============================8 core 2700x 1080ti > ================================== > gmx mdrun -deffnm dppc.md -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 > -gputasks 0000 > Core t (s) Wall t (s) (%) > Time: 5286.270 330.392 1600.0 > (ns/day) (hour/ns) > Performance: 5.126 4.682
That' very interesting for me. Naively, normally I would have started gromacs like: mdrun -v and let Gromacs work out the details. After your post, I considered: mdrun -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 -gputasks 0000 -v and i'ts *much* faster on the Ryzen 2 2700X (@4GHz) system: ns/d | sys | cmd 3.24 | GTX 1080 | -pin on -v 4.61 | GTX 1080 | -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 -gputasks 0000 -pin on -v 5.13 | GTX 1080 Ti | -nb gpu -pme gpu -ntmpi 4 -ntomp 4 -npme 1 -gputasks 0000 This means, on this huge system the 1080 Ti is about 12% faster than the 1080. I would have expected a much larger margin. Thank you, Mirco -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
