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【求助】Gaussian03 linux下安装问题
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小弟最近在linux下安装Gaussian03时遇到问题，急求各位大虾，我是按照Gaussian公司的提供的步骤来的，但是在% ./bsd/install 这之后出现如下内容： [root@localhost ~/g03]$ ./bsd/install Info: distribution path not specified on command line Info: using current working directory: /root/g03/linda7.1 Info: using "/usr/bin/ranlib" to assure up to date archives Info: executing "chmod a+r" on all files in ./common Info: executing "chmod a+rx" on all directory files in ./common Info: using "/root/g03/linda7.1/opteron-linux-I8/" as value of LINDA_PATH Info: executing "chmod a+r" on all files in /root/g03/linda7.1/opteron-linux-I8 Info: executing "chmod a+rx" on all directory files in /root/g03/linda7.1/opteron-linux-I8 Info: executing "/usr/bin/ranlib" on .a files in directory: /root/g03/linda7.1/opteron-linux-I8/lib Info: fixing LINDA_PATH in shell scripts in directory: /root/g03/linda7.1/opteron-linux-I8/bin Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/ntsnet Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/flc Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/vntsnet Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/pmbuild Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/LindaLauncher Info: executing "chmod a+rx" on all files in directory: /root/g03/linda7.1/opteron-linux-I8/bin ln: ‘./clc’：文件已存在 ln: ‘./flc’：文件已存在 ln: ‘./ntsnet’：文件已存在 后来我还是在.login文件中设置了环境变量，但是提交作业时出现：bash: g03: command not found ……这是怎么回事？急求各位 [ Last edited by erylingjet on 2009-1-2 at 19:07 ] |
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wuhanhgf2002
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gwdavid(金币+3,VIP+0):谢谢
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在 .bashrc 中写入这些，然后 logout 现 login 就可以了 当然，你需要作相应的调整，比如你的安装位置等…… G03ROOT=/home/userid/g03 GAUSS_EXEDIR=$G03ROOT GAUSS_SCRDIR=/tmp/userid/g03 LD_LIBRARY_PATH=$G03ROOT/:$LD_LIBRARY_PATH PATH=$G03ROOT/:$PATH export G03ROOT GAUSS_EXEDIR GAUSS_SCRDIR LD_LIBRARY_PATH PATH |
6楼2009-01-03 19:42:59
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gwdavid(金币+3,VIP+0):谢谢
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更正下错误的地方 写入.bashrc后不用注销，重新打开终端即可生效。 如果解压后的绝对路径是/opt/gaussian/g03/ 那么环境变量应该设置成 export g03root=/opt/gaussian #g03解压缩后的上层目录 export GAUSS_SCRDIR=/tmp/gaussian #存放临时文件的目录，可以指定其他目录 source $g03root/g03/bsd/g03.profile #加载高斯设置 其他的无需设置。 如果不能运行出现权限错误在/opt/gaussian目录下执行 chgrp -R 搞定 [ Last edited by purplekey on 2009-1-5 at 10:37 ] |
7楼2009-01-05 10:35:43
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chgrp -R Info: distribution path not specified on command line Info: using current working directory: /root/g03/linda7.1 Info: using "/usr/bin/ranlib" to assure up to date archives Info: executing "chmod a+r" on all files in ./common Info: executing "chmod a+rx" on all directory files in ./common Info: using "/root/g03/linda7.1/opteron-linux-I8/" as value of LINDA_PATH Info: executing "chmod a+r" on all files in /root/g03/linda7.1/opteron-linux-I8 Info: executing "chmod a+rx" on all directory files in /root/g03/linda7.1/opteron-linux-I8 Info: executing "/usr/bin/ranlib" on .a files in directory: /root/g03/linda7.1/opteron-linux-I8/lib Info: fixing LINDA_PATH in shell scripts in directory: /root/g03/linda7.1/opteron-linux-I8/bin Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/ntsnet Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/flc Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/vntsnet Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/pmbuild Info: fixed /root/g03/linda7.1/opteron-linux-I8/bin/LindaLauncher Info: executing "chmod a+rx" on all files in directory: /root/g03/linda7.1/opteron-linux-I8/bin ln: ‘./clc’：文件已存在 ln: ‘./flc’：文件已存在 ln: ‘./ntsnet’：文件已存在 后来按各位说的方法设置环境变量也不行 |
8楼2009-01-05 12:15:18
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