[gmx-users] Intel compilers
Alan Wilter Sousa da Silva
alan at biof.ufrj.br
Mon Mar 25 20:50:37 CET 2002
Does Intel compiler work well with AMD processors? And how to get
a free license?
On Mon, 25 Mar 2002, Erik Lindahl wrote:
> Hi Mikko,
> > Has anyone tried compiling Gromacs with Intel's C/C++ compiler? The
> > compiler is free of cost for unsupported academic use and it makes
> > quite a drastic difference compared to GCC on Pentium 4. I haven't
> > tried recompiling Gromacs, but with a few other floating point
> > intensive software packages we have seen over 30 % performance
> > increases compared to GCC binaries. Apparently you can get quite good
> > performace with GCC and Athlons, too, by being careful with compiler
> > options.
> I've played around with the Intel Compilers and introduced support for
> them in the configure script. They don't make much difference for
> Gromacs though, since the innerloops are already in assembly. The
> neighborsearching benefits from it, but it only makes a couple of
> percent, and then you need to have the intel runtime libs installed
> everywhere you are going to use it...
> On "general" code they can improve performance by 15-20% or so if you
> have lots of loops and complex branches (gcc sucks at this), or if your
> code is fortran (g77's performance is horrible.). For general code I
> usually get a speedup of 10% or so compared to gcc.
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Alan Wilter S. da Silva
Laboratório de Física Biológica
Instituto de Biofísica Carlos Chagas Filho
Universidade do Brasil/UFRJ
Rio de Janeiro, Brasil
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