exercises:2015_ethz_mmm:t_melting
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| exercises:2015_ethz_mmm:t_melting [2015/03/17 12:51] – yakutovich | exercises:2015_ethz_mmm:t_melting [2015/03/17 13:39] – yakutovich | ||
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| - | * 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 |
| </ | </ | ||
| Line 99: | Line 99: | ||
| * 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? | ||
| - | |||
| - | |||
| - | <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