执行以下命令进行编译配置。export CC=`which mpicc`
export CXX=`which mpicxx`
export FC=`which mpifort`
export LDFLAGS="-L/path/to/EXTRA/mathlib/"
export CFLAGS="-L/path/to/EXTRA/mathlib/"
export CXXFLAGS="-L/path/to/EXTRA/mathlib/"
export FCFLAGS="-L/path/to/EXTRA/mathlib/"
export LIBS="/path/to/CP2K/EXTRA/mathlib/libscalapack.a /path/to/CP2K/EXTRA/mathlib/liblapack.a /path/to/CP2K/EXTRA/mathlib/libblas.a"
./configure --prefix=/path/to/EXTRA/ELPA --enable-openmp --enable-shared=no --disable-sse --disable-sse-assembly --disable-avx --disable-avx2