Date: Sun, 02 Jun 2013 11:58:26 +0200
A while back, with Amber 11, I made a very small study for quantifying
the performance difference between GCC 4.6.2 and ICC 12.1.3 for
sander(.MPI) and pmemd(.MPI) tested with the the JAC production (NPT)
benchmark. Resulting plot attached.
Cheers,
Jan-Philip
02.06.2013 05:47, ET wrote:
> Hi,
>
> Apologies if this question has been asked before, but I could not find an
> answer when I searched.
>
> I wanted to know which compiler gives the best code performance for AMBER
> 12. I have compiled with both intel C++ & Fortran and GNU.
>
> There are less variations in the diff file using Gnu. I assume because the
> benchmark was run on an installation compiled with GNU?
>
> I am specifically interested in CUDA optimisation. Is there any benefit to
> using compilers from the Portland group?
>
> br,
> g
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(image/png attachment: amber11_intel_vs_gnu.png)
