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

[Alexey Shvetsov]

Hi all!

Speaking about CFLAGS i found usefull to set CFLAGS to

'-O2 -pipe -march=native -mtune=native -mfpmath=sse -msse2'

if i use >=gcc-4.4 on x86_64 machines. This cflags force gcc to
generate sse enabled code. Also i found that gromacs built with
gcc-4.4/{blas,lapack}-atlas/fftw and this flags performs better then
gromacs built with icc-11/mkl (both for git mater version and 4.0.7)

2010/7/1 Sander Pronk <pronk at cbr.su.se>:
> Thanks!
> I've implemented automatic flags for pgi and xlc (CMake doesn't appear to be
> able to detect pathscale); could you (or somebody else) test these, perhaps?
> Sander
>
>
> On Jun 30, 2010, at 23:39 , Roland Schulz wrote:
>
>
> 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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>
>
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-- 
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru