Some technical details:
- CPMD 3.13.1
- Intel compilers/MKL 10.1
- openSUSE 10.3, 64-bit
./mkconfig.sh IFORT-AMD64-MPI > Makefile
# In Makefile alter
FFLAGS = -pc64 -O2 -unroll
LFLAGS = -L/opt/intel/mkl/10.0.3.020/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
CC = mpicc -cc=icc
FC = mpif90 -fc=ifort -c
LD = mpif90 -fc-ifort -i-static
Run make, hopefully it will compile happily, copy cpmd.x to somewhere on your $PATH.
It would be wise to test your binary. First download cpmd-test.tar.gz from the contrib section of the downloads (tests are not included with the source). Run as mpisub 5x2 cpmd.x inp-1 or similiar depending on your setup. This command would use 5 dual processor computers.