Dear All, For a NVT equilibration MD, I got the following notice. Will you please advice me whether the notice just told me I have wasted my computation resource, or I need to redo my NVT equilibration.
I am looking forward to getting your reply. Brett verage load imbalance: 7.7 % Part of the total run time spent waiting due to load imbalance: 3.8 % Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % Y 0 % Average PME mesh/force load: 0.228 Part of the total run time spent waiting due to PP/PME imbalance: 9.3 % NOTE: 9.3 % performance was lost because the PME ranks had less work to do than the PP ranks. You might want to decrease the number of PME ranks or decrease the cut-off and the grid spacing. -- 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.