Re: [gmx-users] Re: Hardware for best gromacs performance?

just a small benchmark... each node - 2 x Xeon E5-2680v2 + 2 x NVIDIA K20X GPGPUs 42827 atoms - vsites - 4fs 1 node142 ns/day 2 nodes FDR14 218 ns/day 4 nodes FDR14 257 ns/day 8 nodes FDR14 326 ns/day 16 nodes FDR14 391 ns/day (global warming) best, timo -- gmx-users mailing list

Re: [gmx-users] Re: Hardware for best gromacs performance?

29420 Atoms with a some tuning of the write out and communication intervals: nodes again: 2 x Xeon E5-2680v2 + 2 x NVIDIA K20X GPGPUs @ 4fs vsites 1 node 212 ns/day 2 nodes 295 ns/day -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please