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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.