Differences

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

--- exercises:2019_conexs_newcastle:ex1 [2019/09/11 03:03] – [Part 4: Computing PDOS] abussy
+++ exercises:2019_conexs_newcastle:ex1 [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ 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:
+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>
 water.out