Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / microcanonical / DYN_SS / hth / small.out_GB000

diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000 b/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000
index 1193edb..9904891 100644 (file)
--- a/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000
@@ -30,8 +30,8 @@ United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 3.1 build 51
- compiled Fri Feb 15 09:57:56 2013
+ Version 3.1 build 52
+ compiled Sun Feb 17 00:55:22 2013
  compiled by czarek@piasek3
  OS name:    Linux 
  OS release: 2.6.32-42-generic 
@@ -39,11 +39,11 @@ United-residue force field calculation - parallel job.
  flags:
  INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
  FC= ifort
- OPT =  -O3 -ip -w 
+ OPT =  -O3 -ip 
  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
- FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
- FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
- FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ FFLAGS1 = -c  -g -CA -CB -I$(INSTALL_DIR)/inclu...
+ FFLAGS2 = -c  -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c  -O3 -ipo  -opt_report -I$(INSTALL...
  LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
  ARCH = LINUX
  PP = /lib/cpp -P
@@ -415,13 +415,13 @@ Initial:
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    1.17188E-02
-           Energy & gradient evaluation:    1.82461E+01
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    1.83398E+01
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.22773E+01
+                               MD steps:    2.24727E+01
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   22.3125000000000       sec
+ Total wall clock time   22.5898437500000       sec