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doku:gaussian09 [2022/01/26 10:15] – ↷ Page moved from admin:gaussian09 to doku:gaussian09 goldenbergdoku:gaussian09 [2022/01/26 10:22] (current) – [.bashrc entry for Gaussian Rev D.01] goldenberg
Line 32: Line 32:
 <code>$ sbatch g09_job.sh</code> <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> 
  
  
  • doku/gaussian09.1643192151.txt.gz
  • Last modified: 2022/01/26 10:15
  • by goldenberg