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gamess

gamess

Detailinformation

1. How to access the software

module load CHEMISTRY
module load gamess

2. Example batch script

#!/usr/local_rwth/bin/zsh
 
### Job name
#SBATCH --job-name=GAMESS_OMP
 
### Request the time you need for execution in minutes
#SBATCH --time=80
 
### Request vitual memory you need for your job in MB
#SBATCH --mem-per-cpu=3900M
 
### Request the number of threads you want to use
#SBATCH --cpus-per-task=8
 
### Change to the work directory
cd /home/user/workdirectory
 
### load modules and execute
module load CHEMISTRY
module load gamess
 
### start non-interactive batch job
rungms job 01 $OMP_NUM_THREADS

last changed on 07/14/2022

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