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exercises:2015_ethz_mmm:t_melting

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exercises:2015_ethz_mmm:t_melting [2015/03/17 12:37] yakutovichexercises:2015_ethz_mmm:t_melting [2015/03/17 13:39] yakutovich
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 <note tip> <note tip>
-All files of this exercise (**all inputs 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.zip|exercise_5.1.zip}}
 </note> </note>
  
-  * Now, run the first simulation, that should melt your system.+  * Now, run the first simulation, that should melt your system. Pay attention, that your job will be running on four processors: 
  
 <code bash> <code bash>
-you@eulerX exercise_5.1$ bsub cp2k.popt -i half.inp -o half.out+you@eulerX exercise_5.1$ bsub -n 4 mpirun cp2k.popt -i half.inp -o half.out
 </code> </code>
  
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   * Run the second simulation: bsub cp2k.popt -i 1300npe.inp > 1300npe.out   * Run the second simulation: bsub cp2k.popt -i 1300npe.inp > 1300npe.out
   * Observe the temperature and the z profile. Can you find the melting temperature? How do you choose temperatures?   * Observe the temperature and the z profile. Can you find the melting temperature? How do you choose temperatures?
- 
- 
-<note tip>Note that you can run several A5-A7 steps at the same time and in the same directory.</note> 
  
 And finally... And finally...
exercises/2015_ethz_mmm/t_melting.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1