VASP 6.4.1 installation issues with HDF5
Posted: Fri Jul 05, 2024 7:57 pm
I’m trying to install VASP 6.4.1 with HDF5. In Ubuntu 24.04, I use:
and then in my VASP directory:
and I receive hundreds of lines of undefined references:
What am I configuring wrong that makes HDF5 unable to supply VASP with libhdf5.so.8?
Code: Select all
module purge
module load intel/2018a
./configure --prefix=/home/username/hdf5/hdf5-1.14.4-2 --with-zlib=/home/username/hdf5/zlib-1.3.1 CC=mpiicc FC=mpiifort CCX=mpiicpc --enable-fortran --enable-shared --build=x86_64 --enable-parallel
make
make install
Code: Select all
make all
Code: Select all
ld: warning: libhdf5.so.8, needed by /lib/../lib64/libhdf5_fortran.so, may conflict with libhdf5.so.311
vhdf5_base.o: In function `vhdf5_base_mp_get_dimensions_':
vhdf5_base.f90:(.text+0x105): undefined reference to `h5d_mp_h5dopen_f_'
vhdf5_base.f90:(.text+0x127): undefined reference to `h5d_mp_h5dget_space_f_'
vhdf5_base.f90:(.text+0x149): undefined reference to `h5s_mp_h5sget_simple_extent_dims_f_'
vhdf5_base.f90:(.text+0x23b): undefined reference to `h5l_mp_h5lexists_f_'
vhdf5_base.f90:(.text+0x599): undefined reference to `h5l_mp_h5lexists_f_'
...