Compiling Wannier90-2.1.0 is quite straight-forward.
Step 1: Download the source code from Wannier.Org at http://www.wannier.org/download.html
Step 2: Untar the tar-ball
$ tar -zxvf wannier90-2.1.0.tar.gz
Step 3: Copy and Edit the make file
$ cd wannier90-2.1.0/config $ cp make.inc.ifort .. $ cd .. $ mv make.inc.ifort make.inc
#===================================================== # For Linux with intel version 11/12 on 64bit machines #===================================================== F90 = ifort COMMS=mpi MPIF90=mpiifort FCOPTS=-O2 LDOPTS=-O2 #======================================================== # Intel mkl libraries. Set LIBPATH if not in default path #======================================================== LIBDIR = /usr/local/RH6_apps/intel/mkl/lib/intel64 LIBS = -L$(LIBDIR) -lmkl_core -lmkl_intel_lp64 -lmkl_sequential -lpthread #======================= # ATLAS Blas and LAPACK #======================= #LIBDIR = /usr/local/lib #LIBS = -L$(LIBDIR) -llapack -lf77blas -lcblas -latlas
$ make default -j 8 $ make lib $ make w90chk2chk $ make w90vdw $ make w90pov $ make test $ make doc
IF you need to restart the compilation, you use the command
$ make veryclean
For more information, do take a look at
The Linux Cluster 