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--- exercises:2017_ethz_mmm:replica_2017 [2017/05/11 08:03] – dpasserone
+++ exercises:2017_ethz_mmm:replica_2017 [2017/05/11 08:05] – dpasserone
@@ Line 178: / Line 178: @@
 <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''
 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''
 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 stored in the temperature file number **6**.
 </note>
+At the end of the procedure performed by the small script section:
+<code bash>
+NP=16
+NP1=$[NP-1]
+rm torder*
+for repl in `seq 0 $NP1`
+do
+   echo $repl
+   awk -v rep=$repl '{r2=rep+2;print $r2}'  < exchanges_nxyz.log  > rep_$repl
+   i=0
+   for a in `cat rep_$repl`
+   do
+        i=$[i+1]
+        head -$i t_epot_q4_etot.$repl.out | tail -1  >> torder.$a
+   done
+done
+</code>