inteliccintel-oneapidpc++

Unable to build GROMACS with icc compiler

I am trying to build GROMACS with icc compiler but it is throwing error I have provided the error below.


": internal error: 0_76
compilation aborted for /global/scratch/groups/hpcperf/2022_Refresh/gromacs/api/nblib/topology.cpp (code 4)
make[2]: *** [api/nblib/CMakeFiles/nblib.dir/build.make:216: api/nblib/CMakeFiles/nblib.dir/topology.cpp.o] Error 4

Any help appreciated!

Solution

  • A sample reproducer would help us resolve your issue from our end. However, GROMACS no longer supports Intel classic compilers (icc/icpc). It supports only the Intel LLVM compilers (icx/icpx).