compilation - How do I compile VASP 5.4.1 on a Cray XC -

i want compile latest version of vasp 5 (5.4.1) on cray xc mpp machine. have settings can use? vasp distribution not come example cray.

the build system has changed 5.3.5 version.

full compilation instructions can found on archer (http://www.archer.ac.uk) website at:

http://www.archer.ac.uk/documentation/software/vasp/compiling_5-4-1-phase2.php

but in brief:

1. download , patch source code

2. switch intel programming environment , load fftw module:

   module swap prgenv-cray prgenv-intel module load fftw 

3. create "makefile.include" following settings:

   # precompiler options cpp_options= -dmpi -dhost=\"crayxc-intel\" \              -difc \              -dcache_size=2000 \              -dpgf90 \              -davoidalloc \              -dmpi_block=8000 \              -dscalapack \              -duse_collective \              -dnoaugxcmeta \              -duse_bse_te \              -duse_shmem \              -dtbdyn  cpp        = fpp -f_com=no -free -w0  $*$(fuffix) $*$(suffix) $(cpp_options)  fc         = ftn fcl        = ftn  free       = -free -names lowercase  fflags     = -assume byterecl oflag      = -o3 -ip -fno-alias -unroll-aggressive -opt-prefetch -use-intel-optimized-headers -no-prec-div oflag_in   = $(oflag) debug      = -o0  mkl_path   = $(mklroot)/lib/intel64 blas       = lapack     = blacs      = scalapack  =  objects    = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o incs       =  llibs      = ${mkl_path}/libmkl_blas95_lp64.a ${mkl_path}/libmkl_lapack95_lp64.a \              ${mkl_path}/libmkl_scalapack_lp64.a  \              -wl,--start-group ${mkl_path}/libmkl_intel_lp64.a \              ${mkl_path}/libmkl_sequential.a ${mkl_path}/libmkl_core.a \              ${mkl_path}/libmkl_blacs_intelmpi_lp64.a  -wl,--end-group  objects_o1 += fft3dfurth.o fftw3d.o fftmpi.o fftmpiw.o objects_o2 += fft3dlib.o  # used vasp.5.lib cpp_lib    = $(cpp) fc_lib     = $(fc) cc_lib     = cc cflags_lib = -o fflags_lib = -o1 free_lib   = $(free)  objects_lib= linpack_double.o getshmem.o  # no need change srcdir     = ../../src bindir     = ../../bin 

4. compile code

   make