            :-) GROMACS - mdrun_mpi_d, 2019.6 (double precision) (-:

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GROMACS:      mdrun_mpi_d, version 2019.6 (double precision)
Executable:   /home/rjweldon/Software/Gromacs/in_progress/AMD/96_core/2019.6/bin/mdrun_mpi_d
Data prefix:  /home/rjweldon/Software/Gromacs/in_progress/AMD/96_core/2019.6
Working dir:  /local_scratch/133029
Command line:
  mdrun_mpi_d -table tabpot/table

Reading file topol.tpr, VERSION 2019.6 (double precision)
Multiple energy groups is not implemented for GPUs, falling back to the CPU. For better performance, run on the GPU without energy groups and then do gmx mdrun -rerun option on the trajectory with an energy group .tpr file.

Using 24 MPI processes


Non-default thread affinity set probably by the OpenMP library,
disabling internal thread affinity

NOTE: This file uses the deprecated 'group' cutoff_scheme. This will be
removed in a future release when 'verlet' supports all interaction forms.

starting mdrun 'Cyclohexene'
2000000 steps,   1000.0 ps.

Writing final coordinates.


Dynamic load balancing report:
 DLB was turned on during the run due to measured imbalance.
 Average load imbalance: 4.8%.
 The balanceable part of the MD step is 84%, load imbalance is computed from this.
 Part of the total run time spent waiting due to load imbalance: 4.1%.
 Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % Y 50 %
 Average PME mesh/force load: 0.163
 Part of the total run time spent waiting due to PP/PME imbalance: 6.7 %

NOTE: 6.7 % 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.


               Core t (s)   Wall t (s)        (%)
       Time:    76309.946     3179.581     2400.0
                         52:59
                 (ns/day)    (hour/ns)
Performance:       27.173        0.883

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