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correction to 4P energy and csa examples
[unres.git]
/
examples
/
unres
/
CSA
/
4P
/
outputs
/
1l2y_csa.out_GB027
diff --git
a/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB027
b/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB027
index
f18db5e
..
1b0f79b
100644
(file)
--- a/
examples/unres/CSA/4P/outputs/1l2y_csa.out_GB027
+++ b/
examples/unres/CSA/4P/outputs/1l2y_csa.out_GB027
@@
-139,42
+139,40
@@
CSA calculations calculation.
Conformations will be energy-minimized.
********************************************************************************
Conformations will be energy-minimized.
********************************************************************************
-Waiting for 0.1494 sec
+Waiting for 0.1506 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
- Finishing minim_jlee - signal 0 from master
-Waiting for 0.1381 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+ Finishing minim_jlee - signal 0 from master
+Waiting for 0.1337 sec
+Waiting for 0.0001 sec
Waiting for 0.0003 sec
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+Waiting for 0.1420 sec
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@@
-185,23
+183,28
@@
Waiting for 0.0003 sec
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-Waiting for 0.1068 sec
-Waiting for 0.0002 sec
+Waiting for 0.1074 sec
+Waiting for 0.0003 sec
+Waiting for 0.0003 sec
+Waiting for 0.0003 sec
+Waiting for 0.0003 sec
+Waiting for 0.0001 sec
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+Waiting for 0.0001 sec
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-Waiting for 0.1506 sec
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+Waiting for 0.0001 sec
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Waiting for 0.0003 sec
@@
-212,54
+215,57
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0890 sec
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Waiting for 0.0001 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
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-Waiting for 0.0001 sec
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-Waiting for 0.0325 sec
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+Waiting for 0.0001 sec
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+Waiting for 0.1634 sec
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+Waiting for 0.0670 sec
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+Waiting for 0.0823 sec
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+Waiting for 0.1437 sec
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@@
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+278,8
@@
Waiting for 0.0003 sec
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+Waiting for 0.0001 sec
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@@
-285,59
+290,48
@@
Waiting for 0.0003 sec
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+Waiting for 0.0971 sec
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Waiting for 0.0003 sec
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+Waiting for 0.0001 sec
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Waiting for 0.0003 sec
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+Waiting for 0.0558 sec
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-Waiting for 0.0001 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.1304 sec
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-Waiting for 0.0001 sec
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-Waiting for 0.0001 sec
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+Waiting for 0.0002 sec
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+Waiting for 0.0581 sec
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Waiting for 0.0003 sec
Waiting for 0.0001 sec
@@
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+339,26
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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+Waiting for 0.0001 sec
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+Waiting for 0.1003 sec
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-Waiting for 0.0881 sec
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+Waiting for 0.0001 sec
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+Waiting for 0.0001 sec
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@@
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+366,46
@@
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
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Waiting for 0.0003 sec
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Waiting for 0.0003 sec
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@@
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+415,79
@@
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
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-Waiting for 0.0950 sec
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Waiting for 0.0003 sec
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Waiting for 0.0003 sec
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@@
-509,8
+499,9
@@
Waiting for 0.0003 sec
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@@
-522,14
+513,12
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@@
-537,65
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@@
Waiting for 0.0003 sec
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@@
-1058,26
+1027,24
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0859 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0132 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0022 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
-Waiting for 0.1307 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
+Waiting for 0.0001 sec
+Waiting for 0.0954 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
@@
-1087,11
+1054,12
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
-Waiting for 0.0930 sec
-Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.1395 sec
+Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
@@
-1101,71
+1069,67
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0717 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0515 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0902 sec
-Waiting for 0.0002 sec
+Waiting for 0.0003 sec
+Waiting for 0.0382 sec
Waiting for 0.0003 sec
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Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0951 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0921 sec
+Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0159 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0609 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0002 sec
+Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0153 sec
-Waiting for 0.0003 sec
-Waiting for 0.0002 sec
-Waiting for 0.0003 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0006 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0017 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.1684 sec
+Waiting for 0.0002 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0001 sec
@@
-1174,10
+1138,11
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0844 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0602 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
@@
-1190,31
+1155,35
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0929 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0914 sec
+Waiting for 0.0813 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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+Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0788 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0513 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
@@
-1223,63
+1192,65
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
+Waiting for 0.0001 sec
+Waiting for 0.0885 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0236 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0456 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0983 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0001 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0001 sec
-Waiting for 0.0001 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
-Waiting for 0.1006 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
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Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0013 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0002 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.0668 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
@@
-1289,8
+1260,8
@@
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
Waiting for 0.0003 sec
-Waiting for 0.1018 sec
+Waiting for 0.0668 sec
Finishing minim_jlee - signal 0 from master
Finishing minim_jlee - signal 0 from master
- End of minim, proc 27 time 1417783926.2694690
+ End of minim, proc 27 time 1417786221.7756720
CG processor 27 is finishing work.
CG processor 27 is finishing work.
- Total wall clock time 108.86808991432190 sec
+ Total wall clock time 97.898230791091919 sec