How to Compile VASP
General Resources
Installing VASP in the official VASP wiki. It describes the steps necessary to install the parallel version of VASP on Linux using the Intel Composer XE 12.1.3 and OpenMPI.
Check my compiler status list for which (other) Fortran compiler to use.
You can find my old comprehensive compile guide for VASP 4 here. It is getting dated, but may still contain relevant information.
System specific guides
- How to compile VASP on NSC’s Triolith.
Triolith is a Xeon E5/FDR infiniband cluster with CentOS 6. In this guide, an all-Intel build is described with Intel’s Fortran + MKL + MPI. - How to compile VASP on PDC’s Lindgren.
Lindgren is a Cray XE6 system with 12-core AMD Opteron processors. This guide uses Intel’s Fortran compiler, FFTs from Intel’s MKL, together with BLAS/LAPACK/SCALAPACK from Cray’s libsci, and Cray MPICH.