I've been trying to install the latest release of GROMACS (2020) (from ftp://ftp.gromacs.org/pub/gromacs/gromacs-2020.tar.gz) with the Intel compiler suite on RHEL 7.x and have run into the following problem:
[ 47%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o icpc: error #10106: Fatal error in /lustre/shared/ucl/apps/intel/2020/compilers_and_libraries_2020.0.166/linux/bin/intel64/mcpcom, terminated by floating point exception compilation aborted for /tmp/gromacs-build.LsXlUP0elB/gromacs-2020/src/gromacs/pulling/pullutil.cpp (code 1) make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o] Error 1 make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2 make: *** [all] Error 2
I get this failure regardless of whether I try to compile with icpc that comes with the 2020 or 2019 update 5 versions of Intel Cluster Studio and regardless of whether I compile on a RHEL 7.4 or 7.6 host.
I am using GCC 7.3.0 as the version of GCC to get the C++ standard libraries from.
Interestingly, it *does* compile with the version of icpc that comes with the Intel Cluster Studio 2019 update 4, so this bug was presumably introduced between update 4 and update 5.
Compiler version info:
Doesn't work (floating point exception):
$ module load compilers/intel/2020/release $ icpc -v icpc version 19.1.0.166 (gcc version 7.3.0 compatibility) $ module load compilers/intel/2019/update5 $ icpc -v icpc version 19.0.5.281 (gcc version 7.3.0 compatibility)
Works (compiles):
$ module load compilers/intel/2019/update4 $ icpc -v icpc version 19.0.4.243 (gcc version 7.3.0 compatibility)
If it matters, I've tested with both Skylake and Cascade Lake hosts.