CPMD编译三

CPMD编译（三）

[ 2008-07-26 10:14 | By: fpmd ]

CPMD编译安装

总结网络上CPMD的编译和自己的情况，写到这里，供大家参考；第四部分

转自http://hi.baidu.com/homeboy/blog/item/ecfe381267ca4950f919b839.html

 

I mainly refer to

Ubuntu7.04, intel icc ifort 10.0.038, intel mkl 9.1

./mkconfig.sh -m SRC=$PWD -DEST=/home/homeboy/cpmd-3.11 PC-IFC-P4 > makefile

LFLAGS = -lsvml -Xlinker -rpath=/opt/intel/mkl/9.1/lib/32/
-Xlinker -rpath=/opt/intel/fc/10.0.038/lib
-L/opt/intel/mkl/9.1/lib/32/ -lmkl_lapack -lmkl_p4 -lvml
-lguide -Vaxlib

to compile cpmd2cube

./Configure -m SRC=$PWD -DEST=/home/homeboy/cpmd-3.11 LINUX-PC-IFC-P4

FC        = ifort
FFLAGS = -FR -D__IFC -DFFT_DEFAULT -O -w90 -w95 -pc64
LFLAGS = -lsvml -Xlinker -rpath=/opt/intel/mkl/9.1/lib/32/
-Xlinker -rpath=/opt/intel/fc/10.0.038/lib
-L/opt/intel/mkl/9.1/lib/32/ -lmkl_lapack -lmkl_p4 -lvml
-lguide -Vaxlib
LIBS      = -Vaxlib