[gmx-developers] CFLAGS for ppc, etc. with CMake

Roland Schulz roland at utk.edu
Wed Jun 30 23:39:24 CEST 2010


On Wed, Jun 30, 2010 at 7:56 AM, Sander Pronk <pronk at cbr.su.se> wrote:

> I've implemented auto-detection of the CFLAGS (and CXXFLAGS). Right now, it
> works for gcc and icc. There are a few compilers I'd like to add, that I
> don't have access to. Specifically:
>
> xlc on Linux and AIX
> the pgi compilers on x86
>
-fastsse.
Not sure whether IPA helps. If one wants IEEE correct math one needs to add
-Kieee. Does someone know whether this is required for GROMACS? One can also
gain with GCC by adding -ffast-math. Is this safe?
Currently PGI doesn't compile. But Peter told me he has a patch almost
ready.

Pathscale:
-O3 -OPT:Ofast -fno-math-errno -ffast-math  (if fast-math and no-math-errno
is OK, again not sure if ipa helps)

and any compiler on Bluegene.
>
-O3 -qarch=auto -qtune=auto


>
> Would anybody who has insight on what compiler options to set (and test
> for) on these platforms, mind looking at cmake/gmxCFlags.cmake or tell me
> what they think should be added?
>
> I'm specifically looking for how to enable syntactical elements (like
> inline functions) and how to set the best optimization and debug settings.


I hope this helps. Let me know if you need something further or want me to
test something.

Roland


>
>
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