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exercises:2017_ethz_mmm:t_melting_2017

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exercises:2017_ethz_mmm:t_melting_2017 [2017/03/24 10:46]
dpasserone
exercises:2017_ethz_mmm:t_melting_2017 [2017/03/24 16:29] (current)
dpasserone
Line 138: Line 138:
   * Copy the files TEMPnpe.init.inp and TEMPnpe.inp into 1300npe.init.inp and 1300npe.inp (for T=1300) and then edit them in the appropriate points: PROJECT name, INITIAL temperature and RESTART filename.   * Copy the files TEMPnpe.init.inp and TEMPnpe.inp into 1300npe.init.inp and 1300npe.inp (for T=1300) and then edit them in the appropriate points: PROJECT name, INITIAL temperature and RESTART filename.
   * Run the first simulation: qsub run -v INP=1300npe.init ; This is a very short simulation to set the temperature using the old velocities. Why do you need it?   * Run the first simulation: qsub run -v INP=1300npe.init ; This is a very short simulation to set the temperature using the old velocities. Why do you need it?
-  * Run the second simulation: qsub run -v INP=1300npe.inp +  * Run the second simulation: qsub run -v INP=1300npe ​
   * 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?​
  
exercises/2017_ethz_mmm/t_melting_2017.txt ยท Last modified: 2017/03/24 16:29 by dpasserone