[gmx-users] Error occurs when compiling gromacs using vtcc

[Theodore Si]

Hi all,

Does anyone know the instrumentation tool Vampir Trace? I am using it,
and I want to instrument the gromacs code.
So my cmake options are:

cmake .. -DCMAKE_BUILD_OWN_FFTW=ON -DCMAKE_C_COMPILER=vtcc
-DCMAKE_CXX_COMPILER=vtcxx -DGMX_MPI=on
-DCMAKE_INSTALL_PREFIX=/home/theo/gmx
-CUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-5.5

Vampir Trace includes some binaries, like vtcc and vtcxx above. They
behave like compiler but are actually compiler wrapper.
For example, you can write main.c and vtcc main.c -o main, and the
binary main will be built and you can run it like a normal binary file,
but during the run, some files will be generated and can be analysed latter.

However, error occurs:

[ 2%] Building C object
src/gromacs/CMakeFiles/libgromacs.dir/__/external/tng_io/src/compression/tng_compress.c.o
/home/theo/gromacs-5.0/src/external/tng_io/src/compression/tng_compress.c:25:
error: expected ‘=’, ‘,’, ‘;’, ‘asm’ or ‘__attribute__’ before ‘speed’
/home/theo/gromacs-5.0/src/external/tng_io/src/compression/tng_compress.c:
In function ‘quantize’:
/home/theo/gromacs-5.0/src/external/tng_io/src/compression/tng_compress.c:80:
warning: implicit declaration of function ‘verify_input_data’
At top level:
cc1: warning: unrecognized command line option "-Wno-maybe-uninitialized"
make[2]: ***
[src/gromacs/CMakeFiles/libgromacs.dir/__/external/tng_io/src/compression/tng_compress.c.o]
Error 1
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2

When I open the tng_compress.c, I find that line 25 is just a comment.

24 #define SPEED_DEFAULT 2 /* Default to relatively fast compression.
For very good compression it makes sense to
25 choose speed=4 or speed=5 */
26

Could you tell me what's going on?

I'd appreciate you kind help.