[gmx-users] on a MD run notice
brettliu123 at 163.com
Wed May 6 17:16:34 CEST 2015
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.
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.
More information about the gromacs.org_gmx-users