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

[Sander Pronk]

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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