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Vasp | 5.4.4 Installation

| 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 |

Run the top-level makefile to build all versions (standard, gamma-only, and non-collinear): Installing VASP.5.X.X - VASP Wiki vasp 5.4.4 installation