correction to 4P energy and csa examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa.out_GB006

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB006 b/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB006
index 18ba1cb..532b32f 100644 (file)
--- a/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB006
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa.out_GB006
@@ -139,1178 +139,1118 @@ CSA calculations calculation.
 Conformations will be energy-minimized.
 ********************************************************************************
 
-Waiting for     0.1450 sec
-Waiting for     0.0002 sec
+Waiting for     0.1425 sec
 Waiting for     0.0003 sec
-Waiting for     0.0001 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
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- Finishing minim_jlee - signal           0  from master
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 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
 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     0.0004 sec
 Waiting for     0.0003 sec
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 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
+ Finishing minim_jlee - signal           0  from master
+Waiting for     0.1327 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0910 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
 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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 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
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 Waiting for     0.0003 sec
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-Waiting for     0.0002 sec
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+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
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 Waiting for     0.0003 sec
-Waiting for     0.0004 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
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 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
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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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 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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 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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 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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 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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 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
 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
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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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 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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 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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 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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 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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 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
 Waiting for     0.0003 sec
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 Waiting for     0.0003 sec
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-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
+Waiting for     0.0907 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0005 sec
-Waiting for     0.0002 sec
-Waiting for     0.0913 sec
 Waiting for     0.0003 sec
 Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0001 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0001 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.1921 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0720 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
+Waiting for     0.0985 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0550 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0711 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
+Waiting for     0.0735 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0893 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     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.1011 sec
-Waiting for     0.0020 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0218 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
+Waiting for     0.0486 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
+Waiting for     0.0001 sec
 Waiting for     0.0002 sec
+Waiting for     0.0001 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0979 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0798 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
+Waiting for     0.0963 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0599 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
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 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0745 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
 Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0556 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0492 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
+Waiting for     0.0927 sec
+Waiting for     0.0003 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0685 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     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
+Waiting for     0.0433 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0736 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0745 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0252 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0968 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.1191 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0918 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0001 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0926 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0983 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.1015 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0967 sec
-Waiting for     0.0004 sec
+Waiting for     0.0523 sec
+Waiting for     0.0001 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0917 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.1523 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0694 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
+Waiting for     0.0957 sec
+Waiting for     0.0001 sec
 Waiting for     0.0003 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0913 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.1817 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0886 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0731 sec
+Waiting for     0.0001 sec
+Waiting for     0.0003 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
 Waiting for     0.0003 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0005 sec
-Waiting for     0.0004 sec
-Waiting for     0.1026 sec
 Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0002 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0697 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0614 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0892 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0004 sec
-Waiting for     0.0003 sec
-Waiting for     0.0003 sec
-Waiting for     0.0004 sec
-Waiting for     0.0005 sec
-Waiting for     0.1274 sec
+Waiting for     0.0003 sec
+Waiting for     0.0003 sec
+Waiting for     0.1352 sec
  Finishing minim_jlee - signal           0  from master
- End of minim, proc           6 time    1417783937.7753789     
+ End of minim, proc           6 time    1417786223.1058021     
 CG processor   6 is finishing work.
- Total wall clock time   108.86672377586365       sec
+ Total wall clock time   97.896323919296265       sec