![]() root/bin Here make will store the binaries. root/build The different versions of VASP, i.e., the standard, gamma-only, non-collinear version will be build in separate subdirectories of this directory. root/src/CUDA Holds the source of the cuda-code that will be executed on the GPU by the CUDA-C GPU port of VASP. root/src/parser Holds the source of the LOCPROJ parser (as of versions >= 5.4.4), and a low-level makefile. ![]() root/src/lib Holds the source of the VASP library (used to be vasp.X.lib), and a low-level makefile. root/src Holds the source files of VASP, and a low-level makefile. Root/ Holds the high-level makefile, and several subdirectories. The build system of VASP (as of versions >= 5.4.1) has the following ![]() Numerical libraries like BLAS, LAPACK, ScaLAPACK, and FFTW.An implementation of MPI (Message Passing Interface).6.3 For vasp.5.4.4.18Apr17-6-g9f103f2a35įor the compilation of the parallel version of VASP the following software is mandatory:.4.9 For the interface to Wannier90 (optional).4.6.1 Special rules for the optimization level of FFT related objects.
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