velocity computation

From: Patrick Welche (
Date: Fri Feb 05 2016 - 13:05:25 CST

Rather than write out a 6 TB pdb file containing velocities, just
to run a trivial little program over the data, I was wondering how
to simply keep something akin to a running sum of velocities. In a
non-parallel computing world, I could just grab an array, and at
each time step += elements in the array that would persist between
timesteps. What is the "correct" parallel way to do this? I see a
whole messaging framework. (The programmer's manual appeared to be
more about how the physics is implemented, and some of the classes
which seemed interesting from the messaging point of the view no
longer exist.)

I suppose I am looking for "Hello World" where "Hello" comes from
the first timestep, and "World" the second...



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