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--- exercises:2015_ethz_mmm:t_melting [2015/03/17 13:39] – yakutovich
+++ exercises:2015_ethz_mmm:t_melting [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 40: / Line 40: @@
 </note>
-  * Now, run the first simulation, that should melt your system. Pay attention, that your job will be running on four processors:
+  * Now, run the first simulation, that should melt your system:
 <code bash>
-you@eulerX exercise_5.1$ bsub -n 4 mpirun cp2k.popt -i half.inp -o half.out
+you@eulerX exercise_5.1$ cp2k.popt -i half.inp -o half.out
 </code>
-It is a 3000 step molecular dynamics. During this time (about 20 minutes) you can complete the first assignments.
+It is a 3000 step molecular dynamics. While it is running you can complete the first assignments.
 <note tip>
   - Take a look at the file 111.xyz with vmd. Visualize it on the screen, and try to reproduce the figure similar to the one on the last slide of the lectures of today. Include the pbc box, create a representation with vdw, periodic images, rotate the sample, etc. Produce a snapshot and include the file in your assignment.