[gmx-developers] Alternate Parallelization scheme

Nathan Moore nmoore at physics.umn.edu
Sat Jun 18 22:41:38 CEST 2005

>> (2) Which particles does each node control?  I assume that the grompp
>> options -sort and -shuffle destroy the easy mapping, rank=0 gets the
>> first
>> 10 atoms, rank=1 gets the second 10 atoms etc.
> This doesn't matter once you're in mdrun. All this stuff is done in the
> preprocessor. As a matter of fact mdrun prints in md0.log how the
> division over processors is done.

How is the division of labor coded into mdrun?  Is there an array that
maps the control of atoms to each processor?  I'm imagining an array,
     int control[num_atoms];
where the value of control[i] is the rank of the processor assigned to
update force and position of atom i.

Thanks again,


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