[Bug fortran/29975] [meta-bugs] ICEs with CP2K

["fxcoudert at gcc dot gnu dot org" <gcc-bugzilla at gcc dot gnu dot org>]

------- Comment #113 from fxcoudert at gcc dot gnu dot org  2007-06-20 20:41 -------
(In reply to comment #112)
> after the fix for PR 32140 gfortran compiles CP2K correctly on x86_64 using
> '-O3 -ffast-math -ftree-vectorize -funroll-loops -march=native' . Thanks !

Great. I hope we can get it working with MPI (should probably already work) and
OpenMP!

> http://www.pci.unizh.ch/vandevondele/tmp/CP2K_gcc_2007_06.tgz

Thanks! The GCC compile farm is under rearrangement, but I hope to get it
running nightly as part of an "extended testsuite" when the service is
established again.

> this seems quite good (despite being 10-15% slower)

Indeed, this is not so bad. Do you use external libraries?

> For the first benchmark
> most of the slowdown seems to be in one part of the code (core_hamiltonian),
> for which gfortran is about 35% slower (I suspect the difference comes from one
> subroutine ai_overlap_new).

Is that related to PR31021 or PR31079?

> There is one more issue, for which I will file a PR shortly. Compilation fails
> with an out of memory error at '-O1 -fbounds-check'.

Yup, -fbounds-check for code with lots of array access has a high cost, because
each array access generates an IF and a function call. Is that with a single
cp2k source file, or your "all-in-one package"?


-- 

fxcoudert at gcc dot gnu dot org changed:

           What    |Removed                     |Added
----------------------------------------------------------------------------
  BugsThisDependsOn|32439                       |


http://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975