[gmx-users] intel compiler for AMD CPU?

Szilárd Páll pall.szilard at gmail.com
Fri Oct 10 21:04:21 CEST 2014

On Fri, Oct 10, 2014 at 8:04 PM, Albert <mailmd2011 at gmail.com> wrote:
> Hello:
> I've got a question for compiling Gromacs with AMD CPU:
> Can we compile with intel compiler for Gromacs under AMD CPU?

Sure, but the compiler will only be able to generate code that uses
instructions supported by Intel CPUs (so no FMA3 and XOP).

> If yes, will
> it also fasten the calculation comparing with GCC?

For the above reason, for anything newer than Thuban/Magny-Cours, the
Intel compiler will be slower because it allows only GMX_SIMD=SSE4.1
rather than AVX_128_FMA.

However, for Thuban/Magny-Cours, due to some gcc code generation
issue, the Intel compiler can be faster, the gap between icc 12 and
gcc 4.6 used to be quite noticeable, but nowadays, since gcc 4.8 the
difference is much smaller.


> thank you very much.
> Albert
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