Compilando HDF5 para VASP

La versión verificada en la VASP Toolchain es la 1.14.6.

OpenMPI4

module load intel openmpi4

export CC=icx
export CXX=icpx
export FC=ifort
export CFLAGS='-O3 -xHost -ip'
export CXXFLAGS='-O3 -xHost -ip'
export FCFLAGS='-O3 -xHost -ip'

curl -LO https://github.com/HDFGroup/hdf5/releases/download/hdf5_1.14.6/hdf5-1.14.6.tar.gz
tar -zxvf hdf5-1.14.6.tar.gz
cd hdf5-1.14.6
./configure --prefix=/data/contrib/hdf5-install-autotools --enable-fortran --enable-cxx
make
make check
make install