The vasp.5.4.4.tar.gz archive represents a mature, feature-rich, and reliable version of one of computational materials science's most essential tools. While the VASP 6.x series has since superseded it with improved parallel scaling and new capabilities, version 5.4.4 remains in widespread use for several compelling reasons:
VASP is distributed strictly via proprietary group licenses managed by the VASP Software GmbH. Academic and commercial entities must purchase a valid license to legally download, possess, or compile this file. Downloading this archive from unverified third-party repositories, file-sharing platforms, or public code hosts violates international copyright law and licensing terms. Authorized users should safely fetch source archives exclusively through the official VASP Portal.
Locate the arch directory and select a template that matches your compiler toolchain. For an Intel environment, copy the standard template to the root folder: cp arch/makefile.include.linux_intel ./makefile.include Use code with caution. Step 3: Modify the Makefile Engine vasp.5.4.4.tar.gz
# Create a dedicated directory and unpack the archive mkdir -p ~/apps/vasp-build cp vasp.5.4.4.tar.gz ~/apps/vasp-build/ cd ~/apps/vasp-build tar -zxvf vasp.5.4.4.tar.gz cd vasp.5.4.4 Use code with caution. The Crucial 2018 Patch
The root directory of VASP 5.4.4 contains important subdirectories like src/ for source files, arch/ for compilation templates, bin/ for executables, and build/ . The vasp
If your build machine has multiple CPU cores, speed up compilation by using parallel compilation flags (e.g., make -j 8 all to use 8 cores).
This public link is valid for 7 days and shares a thread, including any personal information you added. This link or copies made by others cannot be deleted. If you share with third parties, their policies apply. Can’t copy the link right now. Try again later. Installing VASP.5.X.X - VASP Wiki For an Intel environment, copy the standard template
Resolved issues with optB88 functionals for certain atoms and molecules.
ls -l bin/ ./bin/vasp_std --version
Group leaders can apply for a VASP license through the official VASP website . Upon approval, the group gains access to the VASP Portal, from which the source code, including vasp.5.4.4.tar.gz , can be downloaded.
: You will need a Fortran compiler (e.g., Intel ifort or GNU gfortran ), an MPI library for parallelization (e.g., OpenMPI or Intel MPI), and numerical libraries like BLAS, LAPACK, and ScaLAPACK. 2. Extraction and Patching