Vasp 5.4.4 - Installation ((better))

INCS = $(MKL_INC) LIBS = $(MKL_LIB)

INCS = -I$MKLROOT/include/fftw

| Problem | Solution | |---------|----------| | cannot open file libifcore.a | Switch from ifort to mpiifort in FC and FCL | | Precompiler errors with -Duse_collective | Comment out that line – not needed in 5.4.4 for most HPC setups | | scalapack not found | Explicitly add -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 | | GPU build fails | Use -DOPENACC only if using NVHPC; else build CPU-only first | vasp 5.4.4 installation