| 查看: 616 | 回复: 3 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
【分享】centos下gaussian 03 安装
|
|||
|
本人刚在centos5.4下装了gaussian 03 愿将自己经验及教训与大家分享！ 下面是自己收集的资料！还有想要gaussian03 linux版本的可以与本人联系！ linux下安装g03 和gaussview（摘自变相怪杰-----人生百态blog） 关于“CentOS Gau...”的内容gaussian ?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>Linux?span>?span>?span>?span>?span>?span>03?span>?span>l1?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>Gaussian?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>?span>本站搜索更多关于“CentOS Gaussian 03 ”的内容 my pc installed windows and ubuntu both,but most of my time isdevoted to windows because gaussian and gaussview is very difficultto install under ubuntu. most of the new linux are too new and don't content thenecessary old libraries,so it's a bit difficult to install gaussian& gaussview Ubuntu 8.04 ,debian 4.04 ,centos 5.2 can't run them directly but,it's true I want to do my work under linux and to devote mylife to linux. so I sepnt almost two whole days to fix theproblem,at last I made it. my account is bigant , the home directory is /home/bigant I want to install Gaussian in /home/bigant/g03 and install GaussView in /home/bigant/gv first my gaussian is a tar.gz file, --------------------------------------------------- $ tar zxvf g03.tar.gz #uncompress the file ------------------------------------------------- edit my acount's .bashrc file ------------------------------------------------- $ cd ~ $ cat >> ~/.bashrc<<"EOF" #I use gaussian 03 linux version,so I need configures asbelow export GAUSS_EXEDIR=/home/bigant/g03 export g03root=/home/bigant export LD_LIRBARY_PATH=$LD_LIBRARY_PATH:/home/bigant/g03 export PATH=/home/bigant/g03:$PATH export GAUSS_SCRDIR=/tmp EOF $source .bashrc -------------------------------------------------------- then run g03 ---------------------------------------- $ cd g03 $ ./g03 ----------------------------------------- if it report errors like: error while loading shared libraries:util.so: cannot open shared object file: No such file ordirectory someone say create a file /etc/ld.so.conf.d/gaussian.conf add the directory that contents the util.so,and that is/home/bigant/g03/ then $/sbin/ldconfig -v but it did'nt work,so I copy the util.so to /usr/lib/ and if the report errors like this again,I copied the *.so to/usr/lib again it true works (under ubuntu ,it's a bit difficult to get the *.so file from therpm file,I did this by $ sudo apt-get install alien $ alien *.rpm change the *.rpm to *.deb $ dpkg-deb -x *.deb ./ this uncompressed the rpm files in the same directory) i use root to copy the file, bigant can not run g03,so root doso ------------------ # chmod a+rx /usr/util.so ------------------------------------------------- if g03 report g03 can not locate *.exe, use this ------------------------ # chomod a+rx /home/bigant/g03/*.exe --------------------------------- and if g03 report errors Erroneous write during file extend. write 448 instead of 4096 Probably out of disk space. Write error in NtrExt1: No such file or directory I use this to modify the kernel # echo 0>/proc/sys/kernel/randomize_va_space if you don't want to do it everytime after you restart youpc you can add this command to /etc/rc.local ---------------------------------------------------------------------------------------------------------------------------- Install gaussview modify the init_gv.bash --------------------------------------------- ************************* export GV_DIR='/home/bigant/gv/' ************************* ------------------------------------------------ then ------------------------------ $ cat ~/gv/init_gv.bash >>~/.bashrc $ source .bashrc ------------------------------ if you encount the errors like:error while loading sharedlibraries.......... you can copy the *.so* file to /usr/lib if you can't find the specific *.so you can search it in http://rpm.pbone.net/ download the rpmand umcompress it (it's better not install it) copy the specific *.so to /usr/lib after that , you can run gv with $ gv & or $gview & |
回复此楼» 猜你喜欢
求审搞机会
已经有4人回复
-
中国科学院大连化物所低碳战略中心发布RCESBot 科研智能体
已经有0人回复
-
物理化学论文润色/翻译怎么收费?
已经有268人回复
-
昆明理工大学冶能院离子液体冶金课题组招收博士生
已经有2人回复
-
中科大国家杰青 路军岭老师 一个热催化方向的博士生名额
已经有0人回复
-
中科大国家杰青路军岭教授团队诚招热催化方向的博士生一名
已经有0人回复
-
求助文献
已经有0人回复
-
锂电池正极材料前驱体法制备正极材料
已经有1人回复
-
招计算化学博士，要求本或研的学位计算机相关，英语六级，第一作者SCI或第一专利授权
已经有0人回复
-
深圳理工大学-湖南大学招收电化学方向联培博士生1名
已经有0人回复
4楼2010-03-23 22:25:10
shubainian
木虫 (正式写手)
- 应助: 0 (幼儿园)
- 金币: 1517.2
- 红花: 1
- 帖子: 355
- 在线: 46小时
- 虫号: 493986
- 注册: 2008-01-11
- 性别: GG
- 专业: 系统科学与系统工程
2楼2010-03-18 01:23:28
yanmingsun18
铜虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 38.1
- 红花: 1
- 帖子: 94
- 在线: 13.8小时
- 虫号: 876921
- 注册: 2009-10-19
- 性别: MM
- 专业: 金属功能材料
3楼2010-03-23 20:43:25