[gmx-users] [~SOLVED] Problem compiling Gromacs 5.1 with XL

Mark Abraham mark.j.abraham at gmail.com
Mon Aug 17 15:27:37 CEST 2015


On Mon, Aug 17, 2015 at 11:23 AM Jernej Zidar <jernej.zidar at gmail.com>

> Hi Mark,
>   I will send you the files.

Unfortunately I can see no likely source of problems in them. A fresh build
of 5.1 works fine for me.

  I managed to solve the issue by replacing the content of the
> ~/gromacs-5.1/src/gromacs/simd directory with files from Gromacs
> 5.0.6.

That sounds pretty dangerous. Much safer is simply to remove all
occurrences of gmx_unused from simd_math.h.

> Still curious about what could have caused such an issue.

It seems to me clear that the preprocessor is not handling gmx_unused as
GROMACS intends, but I can't imagine why that would happen. bgxlc -qversion
is 12.01.0000.0012 for me. What is yours?

We might learn something if you compile the "broken" version with make
VERBOSE=1, and replace the failing command line with one that writes the
fully annotated preprocessed source file (-E or -P flag, I forget), so we
can maybe find out why the preprocessor isn't handling gmx_unused as


> Jernej
> >
> > Hi,
> >
> > That all seems wildly unlikely, particularly as you say you can compile
> > earlier GROMACS versions with the same toolchain. The errors are caused
> by
> > the compiler interpreting gmx_unused as a variable name, instead of a
> > portable way to suppress compiler warnings about variables that are
> unused
> > on some code paths. But the source file is correctly including the header
> > that declares gmx_unused (and in any case, if there was a compiler
> problem,
> > gmx_unused should preprocess to something that triggers a different
> > compiler error, or to nothing).
> >
> > Can you please email me (off list) your CMakeCache.txt, src/config.h
> > src/buildinfo.h from the build directory?
> >
> > Thanks,
> >
> > Mark
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