我自己的编译的情况: 操作系统SUSE10.3 酷睿CORE 2 CPU， INTEL MKL10.0 数学库 INTEL MPI 3.1编译器 IFORT 9.0 编译器 CPMD3.11 CPMD3.13 均编译通过
在SOURCE目录里运行
./mkconfig.sh -m src='/$PWD' title='点击查看全图' onload='javascript:DrawImage(this);' onmouseover='this.style.cursor="hand";' onclick='window.open("/$PWD");' style="cursor:pointer" -DEST=/home/solid/cpmd-3.11 IFORT-AMD64-MPI > makefile
根据CPMD MAILST提供的情况，CORE2 CPU 没有好的配置MAKEFILE文件，但可以根据AMD64的MAKEFILE IFORT-AMD64-MPI 修改
生成MAKEFILE后，修改MAKEFILE文件，主要修改两处
FFLAGS =-O2 -unroll -pc64
LFLAGS = -L/home/solid/intel/mkl/10.0.3.020/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
如果编译没有错误则会生成CPMD.X，可以到网络上寻找例子做测试
此网址中有教程和例子供测试
下面是整个MAKEFILE
#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: IFORT-AMD64-MPI
# Creation of Makefile: Jul 21 2008
# on Linux linux-solid 2.6.22.5-31-default #1 SMP 2007/09/21 22:29:00 UTC x86_64 x86_64 x86_64 GNU/Linux
# Author: solid
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for IFORT-AMD64-MPI ---------------
SRC = .
DEST = .
BIN = .
FFLAGS =-O2 -unroll -pc64
LFLAGS = -L/home/solid/intel/mkl/10.0.3.020/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
CFLAGS = -O2 -Wall -m64
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT -DPOINTER8 -DLINUX_IFC
-DPARALLEL -DMYRINET
NOOPT_FLAG =
CC = mpicc
FC = mpiifort -c
LD = mpiifort -i-static
AR = ar
#----------------------------------------------------------------------------
# Personal Configuration
#----------------------------------------------------------------------------
SRC = /home/solid/Program/Cpmd/CPMD-3.13.1/SOURCE
FC = mpiifort -c -I. -I$(SRC)
#----------------------------------------------------------------------------
# End of Personal Configuration
#----------------------------------------------------------------------------
CFGDEST = /home/solid/Program/Cpmd/CPMD-3.13.1
CFGMACH = IFORT-AMD64-MPI
CFGQMMM =
#
# LIST OF FILES
#
