# Precompiler options CPP_OPTIONS= -DHOST=\"LinuxIFC\" -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK -DCACHE_SIZE=4000 -Davoidalloc -DNGXhalf \ -Dtbdyn -DFFTW -DOPENMP
| Component | Minimum Version | Notes | |-----------------|----------------------------|-----------------------------------------| | Linux OS | CentOS 7 / Ubuntu 20.04 | Other distributions work similarly | | Compiler | Intel 2020 / GCC 9+ | Intel provides better performance | | MPI | Intel MPI 2020 / OpenMPI 4 | For distributed memory parallelism | | BLAS/LAPACK | MKL 2020 / OpenBLAS 0.3 | Intel MKL recommended | | FFTW | 3.3.8 | Must be built with MPI support | | Python | 3.6+ | For vaspkit and post‑processing | vasp 5.4.4 installation
Note: If you have a multi-core machine, you can speed this up with make -j 8 std (replacing 8 with your core count). vasp 5.4.4 installation
export VASP_PP_PATH=/path/to/pseudopotentials vasp 5.4.4 installation
sudo apt install libopenblas-dev libfftw3-dev libscalapack-openmpi-dev