Hi!
Will it use CUDA or OpenCL? Second one will be more common since it
will work with wider range of platfroms (cpu, gpu, fcpga)
Szilárd Páll писал 27.11.2011 23:50:
Native acceleration = not relying on external libraries. ;)
--
Szilárd
On Sun, Nov 27, 2011 at 9:33 PM, Peter C. Lai <p...@uab.edu> wrote:
Random hijack:
Will the CUDA acceleration support CMAP or will it still be limited
to
the limitations of OpenMM that it currently has?
On 2011-11-27 12:10:47PM -0600, Szilárd Páll wrote:
Hi Andrzej,
GROMACS 4.6 is work in progress, it will have native CUDA
acceleration
with multi-GPU support along a few other improvements. You can
expect
a speedup in the ballpark of 3x. We will soon have the code
available
for testing.
I'm a little skeptical about the 5x of ACEMD. What setting did you
use? AFAIR they were using large time-steps without contraints in
their benchmarks.
Cheers,
--
Szilárd
On Thu, Nov 24, 2011 at 9:53 AM, Andrzej Rzepiela
<andrzej.rzepi...@physik.uni-freiburg.de> wrote:
> Dears,
>
> I would like to ask what performance improvement is expected for
future
> releases (e.g. 4.6) for PME calculations on gpu cards. Last week
I sent
> benchmark results for dhfr to the list, which show no performance
gain when
> the newest versions of tesla cards vs intel xeon R are used (more
or less in
> agreement of what is presented on the gromacs website). However,
for the
> same system simulations with different gpu code, acemd, on a
very similar
> machine can be about 5 times faster, as benchmarked recently by
my
> colleagues, suggesting that performance of gromacs may soon
improve. is that
> correct ?
>
>
> Andrzej
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Programmer/Analyst | KAUL 752A
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Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
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