GNU builds work, but Intel compilers with MKL typically give 20-30% better performance for VASP.
Used for regular k-point parallelized calculations.
mpirun -np $SLURM_NTASKS /path/to/vasp_std > vasp.out vasp 5.4.4 installation
If you ran into any specific compilation errors during your setup, tell me you are using (Intel or GNU) and paste the error log snippet so we can patch your makefile.include . Share public link
: The gamma-only version for faster speed on big systems. GNU builds work, but Intel compilers with MKL
A licensed copy (typically vasp.5.4.4.tar.gz ).
Note: Always respect the VASP license agreement. Do not share source code or binaries without permission. GNU builds work
make std # Standard version (most common) make gam # Gamma-only version (for specific high-symmetry calculations) make ncl # Non-collinear version (for spin-orbit coupling calculations)