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--- exercises:2019_conexs_newcastle:ex1 [2019/09/11 03:03] – [Part 4: Computing PDOS] abussy
+++ exercises:2019_conexs_newcastle:ex1 [2019/09/11 12:30] – [Part 2: Running an single-point calculation] abussy
@@ Line 137: / Line 137: @@
 or
 <code>
-./cp2k.sopt water.inp | tee water.out
+sbatch cp2k.sh
 </code>
-if you want to follow the output as it runs. When the program is finished, you will have two new files in your working directory:
+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:
 <code>
 water.out