Differences

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--- exercises:2016_ethz_mmm:t_melting [2016/04/08 10:12] – dpasserone
+++ exercises:2016_ethz_mmm:t_melting [2016/04/08 14:23] – dpasserone
@@ Line 29: / Line 29: @@
   * Download the 5.1 exercise into your $HOME folder and unzip it:
 <code bash>
-you@eulerX ~$ wget http://www.cp2k.org/_media/exercises:2016_ethz_mmm:exercise_5.1.zip
+you@eulerX ~$ wget http://www.cp2k.org/_media/exercises:2016_ethz_mmm:exercise_5.1.tar.gz
-you@eulerX ~$ unzip exercises:2016_ethz_mmm:exercise_5.1.zip
+you@eulerX ~$ tar -zxvf exercises:2016_ethz_mmm:exercise_5.1.tar.gz
 you@eulerX ~$ cd exercise_5.1
 </code>
@@ Line 37: / Line 37: @@
 <note tip>
-All files of this exercise (**all inputs and scripts are commented**) can be also downloaded from the wiki: {{exercise_5.1.zip|exercise_5.1.zip}}
+All files of this exercise (**all inputs and scripts are commented**) can be also downloaded from the wiki: {{exercise_5.1.tar.gz|exercise_5.1.tar.gz}}
 </note>
@@ Line 60: / Line 60: @@
 <code bash>
-you@eulerX exercise_5.1$ cp2k.popt -i cell.inp -o cell.out
+you@eulerX exercise_5.1$ bsub cp2k.popt -i cell.inp -o cell.out
 </code>
@@ Line 146: / Line 146: @@
   * Copy the files TEMPnve.init.inp and TEMPnve.inp into 100nve.init.inp and 100nve.inp (for T=100) and then edit them in the appropriate points: PROJECT name, INITIAL temperature and RESTART filename and all other parameters specified as X
   * Run the first simulation: bsub cp2k.popt -i 100nve.init.inp -o 100nve.init.out ; This is a very short simulation to set the temperature using the old velocities. Why do you need it?
-  * Run the second simulation: bsub cp2k.popt -i 100nve.inp > 100nve.out
+  * Run the second simulation: bsub cp2k.popt -i 100nve.inp -o 100nve.out
   * Observe the temperature and the z profile. Can you find the melting temperature? How do you choose temperatures?