Hi,
On May 18, 2006, at 11:47 PM,
Not wanting to press on this subject, that from previous
discussions in this list seems to be a somewhat "sensible" one: You
mean that the only and last thing that still need/should be
"converted" to make Gromacs run on GPUs (or somehow slacing the job
between the CPU and the GPU, as the tests from [EMAIL PROTECTED] shows
to be the better option to the actual point) is "just" (not "just"
as a simples job, but as "the only and last one" job) the
neighborsearching? The "impossible" first, and "hard to get any
speed improvement" later situation has already grown to this point?
Those would be terrific news!
Well, Graphic card performance is increasing raplidly, but
unfortunately it's a bit more complicated than that :-)
The main issue is that it is simply extremely complicated to work
with neighborlists on GPUs, and huge amounts of data that has to be
sent from the CPU to the GPU every 10 steps. It's not mainly a
question of programming implementation, but rather that the
performance drops completely when trying to do it.
Cheers,
Erik
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