Se connecter
Pas encore inscrit?
RSS facebook

Vasp 5.4.4 Installation

grep -E "running on|FFT:|BLAS:" OUTCAR

Edit the Makefile.include (or use provided makefile for your compiler) to point to compiler flags, BLAS/LAPACK, ScaLAPACK, FFTW, and MPI libs. Key flags:

For production, you'll likely only need:

# /etc/modulefiles/vasp/5.4.4 proc ModulesHelp puts stderr "VASP 5.4.4 with Intel MPI + MKL + FFTW"

Vasp 5.4.4 Installation

grep -E "running on|FFT:|BLAS:" OUTCAR

Edit the Makefile.include (or use provided makefile for your compiler) to point to compiler flags, BLAS/LAPACK, ScaLAPACK, FFTW, and MPI libs. Key flags: vasp 5.4.4 installation

For production, you'll likely only need: grep -E "running on|FFT:|BLAS:" OUTCAR Edit the Makefile

# /etc/modulefiles/vasp/5.4.4 proc ModulesHelp puts stderr "VASP 5.4.4 with Intel MPI + MKL + FFTW" vasp 5.4.4 installation