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exercises:2019_conexs_newcastle:ex1

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exercises:2019_conexs_newcastle:ex1 [2019/09/11 12:30]
abussy [Part 2: Running an single-point calculation]
exercises:2019_conexs_newcastle:ex1 [2019/09/11 12:34] (current)
abussy [Part 2: Running an single-point calculation]
Line 139: Line 139:
 sbatch cp2k.sh sbatch cp2k.sh
 </​code>​ </​code>​
-iif you are logged in to the cluster and have modified the //cp2k.sh// accordingly. When the program is finished, you will have two new files in your working directory:+if you are logged in to the cluster and have modified the //cp2k.sh// accordingly. When the program is finished, you will have two new files in your working directory:
 <​code>​ <​code>​
 water.out ​   water.out ​  
exercises/2019_conexs_newcastle/ex1.txt ยท Last modified: 2019/09/11 12:34 by abussy