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exercises:2017_ethz_mmm:replica_2017

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exercises:2017_ethz_mmm:replica_2017 [2017/05/11 08:03] dpasseroneexercises:2017_ethz_mmm:replica_2017 [2017/05/11 08:04] dpasserone
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 <note tip> <note tip>
-  Consider each file t_epot_q4_etot.*.out (processor by processor). Say you consider the number 5 (6th replica): ''t_epot_q4_etot.5.out''+  Consider each file t_epot_q4_etot.*.out (processor by processor). Say you consider the number 5 (6th replica): ''t_epot_q4_etot.5.out''
-  At the step 50000, the file shows the following line:+  At the step 50000, the file shows the following line:
 ''50000 6.7133746 -1.7636174 0.189 -1.7315099'' ''50000 6.7133746 -1.7636174 0.189 -1.7315099''
  
 indicating a temperature of 6.7133746.  indicating a temperature of 6.7133746. 
-  The file ''exchanges_nxyz.log'', at the step 50000, gives us the following line:+  The file ''exchanges_nxyz.log'', at the step 50000, gives us the following line:
 ''50000 7 0 3 2 1 6 10 5 12 8 11 4 9 13 15 14'' ''50000 7 0 3 2 1 6 10 5 12 8 11 4 9 13 15 14''
  
 indicating that at the 6th replica (column **7**), we have the temperature **6**, which is (see input file) T=6.63 K. Meaning that at step 50000, the thermostat is keeping replica 5 around the temperature T=6.63 K. indicating that at the 6th replica (column **7**), we have the temperature **6**, which is (see input file) T=6.63 K. Meaning that at step 50000, the thermostat is keeping replica 5 around the temperature T=6.63 K.
-  This means that this line has to be put in the temperature file number **6**. +  This means that this line has to be put in the temperature file number **6**. 
 </note> </note>
  
exercises/2017_ethz_mmm/replica_2017.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1