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小木虫(金币+0.5):给个红包，谢谢回帖交流
准备工作请使用如下命令:
1. sudo apt-get install build-essential (安装编译器)
2. sudo apt-get install csh perl emacs gnuplot ghostscript
3. sudo apt-get alien (这个主要是为了安装缺少的libstdc++.so.5的rpm包)
4. sudo apt-get install intel-cluster-mkl (安装interl 的MKL包, 或者通过安装下载的intel-cluster-mkl_8.0.1p-7_all.deb)
5. 到http://www.intel.com/cd/software/products/asmo-na/eng/282048.htm下载ifort 编译器, 下载后的文件名称为l_fc_p_10.1.008_ia32.tar.gz 注意要下载32位的, 然后解压安装. 注意注册的时候Intel发的serial number在安装的时候有用.
6. 安装完毕后, add a file 'profile.local' to /etc; or edit the file '.bashrc' as followings注意, 把其中的9.0等替换成自己下载的10.1.008版本号.
profile.local:
#
PATH="/opt/intel/fc/9.0/bin":${PATH}
#PATH="/opt/intel/idb90/bin":${PATH}
export PATH
#
#MANPATH="/opt/intel/idb90/man:${MANPATH}"
MANPATH="/opt/intel/fc/9.0/man:${MANPATH}"
export MANPATH
#
LD_LIBRARY_PATH="/opt/intel/cmkl/8.0.1/lib/32":$LD_LIBRARY_PATH
LD_LIBRARY_PATH="/opt/intel/fc/9.0/lib":$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
#
INCLUDE="/opt/intel/cmkl/8.0.1/include":$INCLUDE
export INCLUDE
#
INTEL_LICENSE_FILE="/opt/intel/licenses"
export INTEL_LICENSE_FILE
#
*********************end of profile.local
.bashrc
.......................
if [ -z "${PATH}" ]
then
PATH="/opt/intel/fc/9.0/bin"; export PATH
else
PATH="/opt/intel/fc/9.0/bin:$PATH"; export PATH
fi
if [ -z "${LD_LIBRARY_PATH}" ]
then
LD_LIBRARY_PATH="/opt/intel/fc/9.0/lib"; export LD_LIBRARY_PATH
else
LD_LIBRARY_PATH="/opt/intel/fc/9.0/lib:$LD_LIBRARY_PATH"; export LD_LIBRARY_PATH
fi
if [ -z "${MANPATH}" ]
then
MANPATH="/opt/intel/fc/9.0/man":$(manpath); export MANPATH
else
MANPATH="/opt/intel/fc/9.0/man:${MANPATH}"; export MANPATH
fi
if [ -z "${INTEL_LICENSE_FILE}" ]
then
INTEL_LICENSE_FILE="/opt/intel/fc/9.0/licenses:/opt/intel/licenses:${HOME}/intel/licenses"; export INTEL_LICENSE_FILE
else
INTEL_LICENSE_FILE="${INTEL_LICENSE_FILE}:/opt/intel/fc/9.0/licenses:/opt/intel/licenses:${HOME}/intel/licenses"; export INTEL_LICENSE_FILE
fi
.....................
7 到http://mirror.centos.org/centos/ ... 3.2.3-47.3.i386.rpm 下载这个rpm包, 这个包会把缺少的libstdc++.so.5文件补上. 执行如下命令
sudo alien -k compat-libstdc++-33-3.2.3-47.3.i386.rpm
sudo dpkg -i compat-libstdc++-33_3.2.3-47.3_i386.deb
好了, 到此为止准备工作完成, 这些步骤在不知道的情况下, 要摸索很久,现在写出来, 下次再装就简单多了.
下来就是安装wien2k了, 准备工作做好后, 这个东西的安装倒不是太难.
1. mkdir WIEN2K_ROOT
2. mv WIEN2k_05_20060207.tar WIEN2K_ROOT
3. cd WIEN2K_ROOT
4. tar -xvf wien2k_00.tar (skip this if you downloaded files separately)
5. gunzip *.gz
6. chmod +x expand_lapw
7. ./expand_lapw
8. ./siteconfig_lapw
9. select "ifort" compiler for fortran programs
10. select "gcc" compiler for C programs
10. FOPTCompiler options: '-FR -w -mp1 -prec_div -pad -ip'
11. Linker options : -L/opt/intel/fc90/lib -i-static -lguide_stats -lsvml -lpthread
12. BLAS-LAPACK options (R LIBS):-L/opt/intel/mkl80/lib/32 -lmkl_lapack -lmkl_ia32 -lguide -lguide_stats -lpthread
13. ./userconfig_lapw (用户设置命令, 按提示设置即可成功)
设置成功后, 就可以远程登陆了. 试试吧......万事OK...... |
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