[gmx-users] Compiling Gromacs 2018 using Intel 2018.1 compiler on OSX 10.13.3

[Zhiyi Wu]

Hi,
I’m trying to compile Gromacs 2018 with icc 2018.1.126 on a iMac using flag

cmake .. -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILER=icpc -DGMX_GPU=on -DGMX_USE_OPENCL=on -DGMX_SIMD=AVX2_256 -DGMX_FFT_LIBRARY=mkl -DREGRESSIONTEST_DOWNLOAD=ON

The cmake succeed without any warning but during the making I have encountered an error.

[ 23%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o
/Users/zhiyiwu/src/gromacs-2018/src/gromacs/gmxana/gmx_dipoles.cpp(257): error: expected an identifier
                  if (debug || std::isnan(cosa))
compilation aborted for /Users/zhiyiwu/src/gromacs-2018/src/gromacs/gmxana/gmx_dipoles.cpp (code 2)
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o] Error 2
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2

I have repeated the same compilation on another Mac and encountered the same error. I have tried to replace icc with GCC7 and the compilation succeed without any error. I have also tried to compile the same Gromacs on a Linux with the same 2018.1 intel compiler (2018.1.163) and it succeeded without any error.
It seems that this error only occurred when using icc on a Mac. I wonder if there is any way of solving this problem? Thanks,
Kind regards,
Zhiyi Wu