| 查看: 593 | 回复: 9 | ||
| 【奖励】 本帖被评价7次，作者zzgyb增加金币 7 个 | ||
| 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 | ||
[资源]
Gaussian 98 Installation Instructions for Linux
|
||
|
come from http://www.webmo.net/support/index.html 1. Obtain Gaussian 98 Gaussian 98 is a commercial software product and must be purchased from Gaussian, Inc. 2. Make sure that your version of Gaussian 98 is compatible with your operating system Gaussian 98 Rev A10 and lower is compatible with Red Hat Linux 6.X, but not Red Hat Linux 7.X. Gaussian 98 Rev A11 and higher is compatible with both Red Hat Linux 6.X and 7.X. If you are attempting to install an older version of Gaussian on a newer version of Red Hat Linux, contact Gaussian, Inc. to obtain an updated version of Gaussian 98. 3. If software is provided on a tape, create a tar file from the tape % su # cd /download_dir # tar xvof /dev/tape # tar cvf g98.tar g98 # exit 4. Obtain and install the Portland Group Fortran 77 compiler (required) See the separate instructions for this installation procedure. 5. Obtain and install optimized BLAS libraries Obtain the optimized Linux BLAS libraries from the Intel/Sandia ASCI project. Submit the registration form, go to the download page specified in the email message you receive, and download the "Linux Single processor BLAS for Pentium II Xeon Version 1.2F made in March 2000" library (lsblaspii1.2f_03.00.a) Obtain updated blas-f2c library from Gaussian, Inc. For Red Hat Linux 6.X download blas-f2c_rh6.a, or for Red Hat Linux 7.X download blas-f2c_rh7.a. % su # cd /usr/local/lib # cp /{download_dir}/lsblaspii1.2f_03.00.a blas-opt.a # cp /{download_dir}/blas-f2c_rhX.a blas-f2c.a # chmod 755 blas-opt.a # chmod 755 blas-f2c.a 6. Extract g98 files # cd /usr/local # tar xvof /download_dir/g98.tar # chmod 755 g98 # chown -R root:root g98 7. Compile g98 # /bin/csh (if not already in csh or tcsh) # unset autologout # setenv g98root /usr/local # source /usr/local/pgi/pgisetup # cd $g98root/g98 # bsd/install >& install.log # bsd/bldg98 >& bldg98.log (takes up to an hour) 8. Change file permissions # cd /usr/local/g98 # chmod -R o+r * # chmod o+x bsd/set-mflags 9. Optionally, isolate version of g98 with a symbolic link (only if you have multiple versions of Gaussian 98 on your system) # cd /usr/local # mv g98 g98A7 (or appropriate version) # ln -s g98A7 g98 # exit 10. Setup a user to run g98 and do a test run % cd ~ % mkdir g98 % cd g98 % vi g98setup i (to enter insert mode) setenv g98root /usr/local setenv GAUSS_SCRDIR /tmp source $g98root/g98/bsd/g98.login 11. % /bin/csh (if not already in csh or tcsh) % source g98setup % cp -p /usr/local/g98/tests/com/test001.com test001.com % cp -p /usr/local/g98/tests/alpha-osf1/test001.log test001.log.alpha % g98 < test001.com > test001.log.linux % tail test001.log.alpha % tail test001.log.linux 12. Optionally, setup g98 system policies such as max disk space % su # cd /usr/local/g98 # vi Default.Route i (to enter insert mode) -#- MaxDisk=512MB 13. # exit [ Last edited by mingdong on 2009-6-13 at 21:54 ] |
回复此楼» 猜你喜欢
重庆交大26年硕士生招生拟调剂通知已出！欢迎加入光子学微结构与器件课题组。
已经有0人回复
-
UJN物理学专业调剂
已经有12人回复
-
物理学I论文润色/翻译怎么收费?
已经有297人回复
-
北京纳米能源与系统研究所王中林院士/曹南颖研究员课题组招收2026硕士研究生1名
已经有0人回复
-
山西大同大学物理学硕士研究生招收调剂生
已经有0人回复
-
[调剂信息]211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
［调剂信息］211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
[调剂信息]211智能人工感知方向国家青年特聘专家课题组招收调剂研究生
已经有0人回复
-
一志愿物理所凝聚态物理352求调剂
已经有0人回复
-
0702一志愿吉大B区求调剂 本科期间发表一篇Sci
已经有0人回复
5楼2008-04-04 21:15:26
3楼2008-01-04 21:29:02
4楼2008-02-03 06:47:22
