Differences

This shows you the differences between two versions of the page.

--- doku:gaussian09 [2022/01/26 10:15] – ↷ Page moved from admin:gaussian09 to doku:gaussian09 goldenberg
+++ doku:gaussian09 [2024/07/05 07:17] – [Compiling Gaussion09 with the Intel compiler] grokyta
@@ Line 11: / Line 11: @@
 The compiliation procedure discussed in this [[http://blog.syszone.co.kr/3192?category=4|blog]] has been followed.
-<html> <b>  Note: </b>  </html>
+**Note:**
-In order to use Gaussian the user has to be <html> <font color=#cc3300><b> member of the Gaussian user group.</b></font> </html> Please, __**[[doku:contact|contact]]**__ us for adding you to the user group.
+In order to use Gaussian the user has to be **<color #ed1c24>member of the Gaussian user group.</color>** Please, __**[[doku:contact|contact]]**__ us for adding you to the user group.
 ===== VSC-3: submission of Gaussian jobs =====
@@ Line 32: / Line 32: @@
 <code>$ sbatch g09_job.sh</code>
-===== .bashrc entry for Gaussian Rev A.02  =====
-== VSC-2: ==
-<code>
-# for Gaussian Rev A.02:
-export g09root=/opt/sw
-export GAUSS_SCRDIR="/scratch"
-. $g09root/g09/bsd/g09.profile
-</code>
-===== .bashrc entry for Gaussian Rev C.01  =====
-== VSC-1: ==
-<code>
-# for Gaussian Rev C.01:
-export g09root=/opt/sw/g09_RevC.01
-export GAUSS_SCRDIR=/work/tmp
-. $g09root/g09/bsd/g09.profile
-</code>
-== VSC-2:==
-For Gaussian Rev C.01 (pgi compiler):
-<code>
-export g09root=/opt/sw/g09_RevC.01
-export GAUSS_SCRDIR="/scratch"
-. $g09root/g09/bsd/g09.profile
-</code>
-For Gaussian Rev C.01 (intel compiler):
-<code>
-export g09root=/opt/sw/g09_RevC.01/intel
-export GAUSS_SCRDIR="/scratch"
-. $g09root/g09/bsd/g09.profile
-</code>
-===== .bashrc entry for Gaussian Rev D.01  =====
-== VSC-2:==
-<code>
-# for Gaussian Rev D.01:
-export g09root=/opt/sw/g09_RevD.01/intel
-export GAUSS_SCRDIR=/scratch
-. $g09root/g09/bsd/g09.profile
-</code>