Mac OS X system Gaussian 09 Installation Guide In order to perform the Gaussian 09, you need to set some of the UNIX environment variable for each user of the account. If you are familiar with UNIX, you can set up the G09 according to the installation guide of the README document README document that contains the distribution CD. This installation guide, you use a minimum of UNIX command for ineperienced people to UNIX. !ther "#$ program body, in the case of the only "#$ Utilities, please install in accordance with this guide.
If you want to simultaneously install the GaussView Installing programs: •
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%lace the "#$ CD. !pen the tar folder, tar folder, and then double&clic' the Mxx-1y!"t#! (le. Mxx-1y!"t#! (le. )*ere, xx is xx is the, if you mean a %ower%C +ac, -&bit Intel +ac , /&bit Intel +ac, y is the versionnum$er" version num$er" 0 0 is% N, is% N, X, in one of the &% respectively, &% respectively, TC% 1inda comes "#$ binary, "#$ binary, it means the "#$ Utilities2 Normally, in a +3C !4 X system, start Archive Utility is when you double&clic' the "t#! (le, "t#! (le, will be epanded in the folder named #' is #' is in it if the des'top (Des)to*+ or (Des)to*+ or download (Downloads+ folder (Downloads+ folder eists . 3fter 3fter the deployment the end, and then drag to the directory where you want the "#$ binary )or "#$ Utilities2. #' folder5s #' folder5s name should not be changed. (le of the #' folder, #' folder, you do not need to be modi(ed. The directory path path to the #' folder, #' folder, it can not contain spaces.
Confguring UNIX environment variable: The operation of this step is done for all Gaussian users. In +ac !4 X, from the 6inder, but you can not edit or browse the contents of certain UNIX (le, to avoid restrictions on certain of these (les by running a few simple UNIX commands you are able to. •
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6irst, open a Terminal window window (Terminal a**lication% 3pplications a**lication% 3pplications 7 Utilities folder contains. In the 8apanese environment, will be displayed as 9Terminal9 9Terminal9 in the 93pplications 7 Utilities9 folder2. :nter the following command )waiting for input prompt ; do not enter2. ; Cd ; Touch .login ; 1n &s .login my
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To eit the Terminal program, open it using a tet editor such as TextEdit the my,lo#in (le. =hen the #' folder and are placed in the A**lications folder, and add the following two lines to the (le, followed by a carriage return )but I thin' at th is point the (le is that it is empty, if, if this is not the case, at the end of the (le 3dd the two lines at the end of .- line, and add a new line2. setenv g#$root 7 3pplications source ; g#$root 7 g#$ 7 bsd 7 g#$.login
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If the "#$ is to specify the directory where you want to save the temporary (les to use in the calculation, add a line similar to the following, and then a new line. setenv "3U44<4C>DI> 7 Users 7
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user account name 7
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If the speci(ed directory does not eist, please create it. the "lo#in (le, if there is already a path speci(cation of g03, please note that there is a need to replace the two lines of the above&mentioned )or three rows2. %lease save in plain tet format (le )please do not save in the >T6 format2. In order to enable editing the contents of the "lo#in (le, once you log out, please log in again.
!r more, so we5re installation of GaussView, please install according to "auss?iew @.# Installation "uide.
o run the G09 .o$ from a Terminal window +a'e a Gaussian input (le, but if the application that can not submit a Aob of your, use the Terminal window, you will need to submit the Aob. +ac !4 X user, one of the two default UNIX shell, you use either.*ow to set up is diBerent for each two shells. Confrmation o deault UNIX shell: !riginally, +ac !4 X #.#., #.., the case of the account that has been created in #.-., the default istcsh" In the case of +ac !4 X #.. and later, the default is $ash"
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To chec' whether your account is using either of the shell, open a Terminal window, type the following command. ); Do not enter2 ; :cho ; 4*:11
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/ 7 bin 7 If tcsh is displayed If you at the same time to install the GaussView] according to the procedure of, please modify the"lo#in (le. Ta'ing advantage of the "#$ through the GaussView also, it is also possible to run the " #$ from the Terminal window )if already set, there is no need for re&setting2. If necessary, if you want to use the "#$ in multiple userE %lease set of. / 7 bin 7 if the $ash is displayed To be able to use the "#$ from the Terminal window, please do the following con(guration )modi(cation of the .pro(le (le2. To run the "#$ from "auss?iew, even if the default shell is 7 bin 7 bash, the If you want to simultaneously install the GaussView] settings, please be sure.
Modiy the .profle fle: In +ac !4 X, from the 6inder, but you can not edit or browse the contents of certain UNIX (le, to avoid restrictions on certain of these (les by running a few simple UNIX commands you are able to. •
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6irst, open a Terminal window (Terminal a**lication% 3pplications 7 Utilities folder contains. In the 8apanese environment, will be displayed as 9Terminal9 in the 93pplications 7 Utilities9 folder2. :nter the following command ); does not enter waiting for input prompt2. ; Cd ; Touch .pro(le ; 1n &s .pro(le my
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To eit the Terminal program, open it using a tet editor such as TextEdit the my,*ro0le (le. =hen the #' folder and are placed in the A**lications folder, and add the following three lines in the (le, followed by a carriage return )but I thin' at this point the (le is that it is empty, if, if this is not the case, at the end of the (le three lines will be added at the end of . line, and add a new line2.
g#$root F 7 3pplications eport g#$root . ; "#$root 7 g#$ 7 bsd 7 g#$.pro(le
The third line of the (rst character period ("+% Net is blan', please note that the following is 2 #'root 3 #' 3 $sd 3 #'"*ro0le" •
If the "#$ is to specify the directory where you want to save the temporary (les to use in the calculation, add the two lines, such as the following, and then a new line. "3U44<4C>DI> F 7 Users 7 eport "3U44<4C>DI>
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user account name 7
4cratch
If the speci(ed directory does not eist, please create it. in the "*ro0le (le, if there is already a path speci(cation of g03, please note that there is a need to replace the three lines of the above&mentioned )or @ lines2. %lease save in plain tet format (le )please do not save in the >T6 format2. In order to enable editing the contents of the "*ro0le (le, Aust to ma'e sure, once you log out, please log in again.
=e are ready to run the Gaussian from Terminal window above.
If you want to use the G09 in multi*le user If more than one user to run "aussian #$ log in to +acintosh computers, all belong to the same group, you need to the group becomes the owner of the "#$ software (le. "#$ ownership set of software (les is done in the ch#r* -R command. •
6or eample, the following when you run the command g#$ folder following folders and (les, it is set to ownership in chem group. )3ssuming the same as the directory path of the above&mentioned2 ; 4udo chgrp &> chem 7 3pplications 7 g#$
These steps will be important especially in the case of subseGuent %anther of the system. In default of this system, each user is set to separate groups. 6or
more information on the setup procedure, please consult your system administrator.
MA4 OS X system GaussView !0 Installation Guide •
ste* 1" Hefore you install the GaussView, please install the Gaussian 09 or Gaussian Utilities!
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ste* 5" Drive to insert the CD. Double&clic' =hen the icon appears on the des'top to display the CD contents. ste* 6" #7-8x-Mac 9 "t#! ( is the minor version number, the platform versionJ F %%C for %ower%C +ac 7 F Intel for Intel +ac2 and double&clic' the icon. "#rmal, 3rchive Utility is started, the des'top (Des)to*+% or% gv folder will be epanded in the download folder in the case of download (Downloads+ folder eists. >ecommended installation is the same parent folder as the Gaussian 09 or Gaussian Utilities folder. To the recommended installation, after deployment (nished, move drag the #7 folder in the same location as the #' folder. 6or eample, if you install Gaussian 09 to the 3 A**lications folder (3 3pplication 7 g#$2, gv folder also move to the 3 A**lications folder )7 3pplication 7 gv2. ste* :" 4elect the #7 folder, press Command&I. "et Info dialog bo will appear )you can open from the 9"et Info9 in the 8apanese environment2. Clic' on the arrow net to the Ownershi* ;
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