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Use AVX2, similar to ICEXA (CPU), but suggest LLVM:
../configure --enable-comms=mpi \ --enable-simd=AVX2 \ --prefix $HOME/prefix-cpu \ MPICXX=mpicxx \ LDFLAGS=-L$HOME/prefix/lib/ \ CXXFLAGS="-I$HOME/prefix/include/ -std=c++11 -fpermissive" make -j 24
Usage of one MPI rank per NUMA domain is recommended, and we have found one NUMA domain per socket to be best as BIOS configuration.