Compiling castep 4.0.1 on mott2

The compilation can be implemented with the following steps.

1. chmod +x ./bin/arch

2. edit Makefile

COMMS_ARCH :=mpi

FFT :=fftw3

MATHLIBS :=acml

3. mathlibdir

/home/mingjun/acml/pgi64/lib

4. fftlibdir

/home/mingjun/lib

5. make