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

Roland Schulz roland at utk.edu
Thu Jul 1 08:05:29 CEST 2010


one more:

Cray has this annoying thing that it has some additional output for its
compiler wrappers.

One has to set
           export XTPE_INFO_MESSAGE_OFF=yes
otherwise all cc always returns
           /opt/cray/xt-asyncpe/3.7/bin/cc: INFO: linux target is being
on stderr and thus test compiler tests checking the stderr don't work.

Why is it that the stderr

I'm not sure how to handle this best
1) tell user they have to set XTPE_INFO_MESSAGE_OFF
2) set XTPE_INFO_MESSAGE_OFF in configure (it doesn't has any other affect
but deactivating the message - so it should be fine)
3) ignore this (andalso similar?) messages on stderr


On Wed, Jun 30, 2010 at 5:39 PM, Roland Schulz <roland at utk.edu> 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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ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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