Hi everyone, For my MD simulations on different number of CPUs (sometimes with GPUs), the domain decomposition grid that I got from automatic (not setting -dd) domain decomposition is always like: ...... Domain decomposition grid 8 x 6 x 2, separate PME nodes 48 PME domain decomposition: 8 x 6 x 1 ......
or in the case of GPUs: ...... Domain decomposition grid 4 x 3 x 1, separate PME nodes 0 PME domain decomposition: 4 x 3 x 1 ...... This happens regardless of the systems (all proteins in explicit solvents) I am modeling. So why it is never like 6 x 4 x 4 or 3 x 2 x 2? Isn't it better that protein atoms be distributed more equally and into more grid boxes? Thanks, Yun -- 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.
