exercises:2015_ethz_mmm:t_melting
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exercises:2015_ethz_mmm:t_melting [2015/03/17 12:37] – yakutovich | exercises: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 |
</ | </ | ||
- | * Now, run the first simulation, that should melt your system. | + | * Now, run the first simulation, that should melt your system. |
<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 |
</ | </ | ||
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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? | * Observe the temperature and the z profile. Can you find the melting temperature? | ||
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- | <note tip>Note that you can run several A5-A7 steps at the same time and in the same directory.</ | ||
And finally... | And finally... |
exercises/2015_ethz_mmm/t_melting.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1